LOTUS: Natural Products Online

Q413192

Name	Falcarinol
Wikidata	Q413192
Mol. formula	C17H24O
CAS registry number	-
Mol. weight	244.3725

Representations

Temporary LOTUS id	LTS0184823
Name	Falcarinol
Canonical SMILES	C=C[C@@H](O)C#CC#CC/C=C\CCCCCCC
2D SMILES	C=CC(O)C#CC#CCC=CCCCCCCC
IUPAC name	(3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
InChI	InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
InChIKey	UGJAEDFOKNAMQD-QXPKXGMISA-N
Deep SMILES	could not be computed
Murcko Framework	not applicable

Organism taxonomy

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Panax	Panax ginseng

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Panax	Panax ginseng

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Panax	Panax ginseng

Ref:

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Hedera	Hedera helix
Plantae	Araliaceae	Hedera	Hedera hibernica

Family	Genus	Species
Araliaceae	Hedera	Hedera helix

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera hibernica
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera helix

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera hibernica

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Chaerophyllum	Chaerophyllum aureum

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Apiaceae	Chaerophyllum	Chaerophyllum aureum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Chaerophyllum	Chaerophyllum aureum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Chaerophyllum	Chaerophyllum aureum

Ref:

Kingdom	Family	Genus	Species
Plantae	Apiaceae	Levisticum	Levisticum officinale

Family	Genus	Species
Apiaceae	Levisticum	Levisticum officinale

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Apiaceae	Levisticum	Levisticum officinale

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Levisticum	Levisticum officinale

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Levisticum	Levisticum officinale

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Glehnia	Glehnia littoralis

Kingdom	Family	Genus	Species
Plantae	Apiaceae	Glehnia	Glehnia littoralis

Family	Genus	Species
Apiaceae	Glehnia	Glehnia littoralis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Apiaceae	Glehnia	Glehnia littoralis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Glehnia	Glehnia littoralis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Glehnia	Glehnia littoralis

Ref:

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Panax	Panax ginseng

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Panax	Panax ginseng

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax notoginseng

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Panax	Panax notoginseng

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Panax	Panax notoginseng ex

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Heracleum	Heracleum moellendorffii

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Apiaceae	Heracleum	Heracleum moellendorffii

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Heracleum	Heracleum moellendorffii

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Solanaceae	Solanum	Solanum lycopersicum

Ref:

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Panax	Panax ginseng

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Panax	Panax ginseng

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Panax	Panax ginseng

Ref:

Kingdom	Family	Genus	Species
Plantae	Araliaceae	Panax	Panax ginseng

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Panax	Panax ginseng

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Araliaceae	Panax	Panax ginseng

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Apiaceae	Niphogeton	Niphogeton ternata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Niphogeton	Niphogeton ternata

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Niphogeton	Niphogeton ternata

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Oenanthe	Oenanthe javanica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Oenanthe	Oenanthe javanica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Daucus	Daucus carota

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Apium	Apium graveolens

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax pseudoginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Apiaceae	Saposhnikovia	Saposhnikovia divaricata
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Panax	Panax quinquefolius

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Saposhnikovia	Saposhnikovia divaricata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax quinquefolius

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Saposhnikovia	Saposhnikovia divaricata
Plantae	Tracheophyta	Araliaceae	Panax	Panax quinquefolius

Ref:

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera canariensis
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera hibernica
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera helix

Domain	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera canariensis
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera hibernica

Superkingdom	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera hibernica
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera canariensis

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera canariensis
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera helix
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera hibernica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax japonicus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Cussonia	Cussonia arborea

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Dendropanax	Dendropanax arboreus

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Angelica	Angelica tenuisecta

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Eryngium	Eryngium campestre

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Crithmum	Crithmum maritimum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Bunium	Bunium paucifolium

Ref:

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera hibernica
Plantae	Tracheophyta	Araliaceae	Fatsia	Fatsia japonica
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera helix

Superkingdom	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera hibernica
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Trevesia	Trevesia palmata
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Tupidanthus	Tupidanthus calyptratus
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Schefflera	Schefflera pueckleri
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Schefflera	Schefflera tomentosa
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Trevesia	Trevesia sundaica
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Fatsia	Fatsia japonica
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Schefflera	Schefflera venulosa

Domain	Kingdom	Phylum	Family	Genus	Species
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Schefflera	Schefflera venulosa
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Fatshedera	Fatshedera lizei
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Trevesia	Trevesia palmata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera hibernica
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Trevesia	Trevesia sundaica
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Fatsia	Fatsia japonica
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Schefflera	Schefflera pueckleri
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Tupidanthus	Tupidanthus calyptratus
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Schefflera	Schefflera tomentosa
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera helix

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Araliaceae	Schefflera	Schefflera pueckleri
Plantae	Tracheophyta	Araliaceae	Schefflera	Schefflera venulosa
Plantae	Tracheophyta	Araliaceae	Schefflera	Schefflera tomentosa
Plantae	Tracheophyta	Araliaceae	Trevesia	Trevesia sundaica
Plantae	Tracheophyta	Sapindaceae	Fatshedera	Fatshedera lizei
Plantae	Tracheophyta	Araliaceae	Trevesia	Trevesia palmata
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera hibernica
Plantae	Tracheophyta	Araliaceae	Hedera	Hedera helix
Plantae	Tracheophyta	Araliaceae	Fatsia	Fatsia japonica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Saposhnikovia	Saposhnikovia divaricata

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Daucus	Daucus carota

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Oplopanax	Oplopanax horridus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Daucus	Daucus carota

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Angelica	Angelica japonica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Todaroa	Todaroa aurea

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Petroselinum	Petroselinum crispum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Eryngium	Eryngium dilatatum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Glehnia	Glehnia littoralis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus koreanus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus koreanus
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Eleutherococcus	Eleutherococcus senticosus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax pseudoginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Schefflera	Schefflera arboricola

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax japonicus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Daucus	Daucus carota

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera hibernica

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera hibernica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera hibernica
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Hedera	Hedera helix

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera helix
Eukaryota	Viridiplantae	Streptophyta	Araliaceae	Hedera	Hedera hibernica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Angelica	Angelica japonica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Apiaceae	Angelica	Angelica tenuisecta

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax quinquefolius

Ref:

Chemical ontology

Pathway	Superclass	Class
Fatty acids	Fatty acyls	Fatty alcohols

Molecular Properties

Total atom number	42
Heavy atom number	18
Bond count	17
Number of carbons	17
Minimal number of rings	0
Maximal number of rings	0

Molecular Descriptors

NP-likeness score	1
Alogp	5.68
Alogp2	32.27
Apol	46.725
Bpol	26.237
EccentricConnectivityIndexDescriptor	413
FmfDescriptor	0
Fsp3	0.5294
FragmentComplexityDescriptor	1375.01
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	1
WienerPathNumber	941
Xlogp	6.197
ZagrebIndex	68
TopoPSA	20.23

Kingdom	Superclass	Class	Direct Parent
Organic compounds	Lipids and lipid-like molecules	Fatty Acyls	Long-chain fatty alcohols