LOTUS: Natural Products Online

Q104201352

Name	8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-ol
Wikidata	Q104201352
Mol. formula	C30H50O2
CAS registry number	-
Mol. weight	442.7179

Representations

Temporary LOTUS id	LTS0178123
Name	8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-ol
Canonical SMILES	CC1CCC2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
2D SMILES	CC1CCC2(CO)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
IUPAC name	8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
InChI	InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3
InChIKey	XUARCIYIVXVTAE-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	C1=C2C3CCCCC3CCC2C4CCC5CCCCC5C4C1

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Euphorbia	Euphorbia paralias

Kingdom	Family	Genus	Species
Plantae	Euphorbiaceae	Euphorbia	Euphorbia paralias

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Euphorbiaceae	Euphorbia	Euphorbia paralias

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Euphorbiaceae	Euphorbia	Euphorbia paralias

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Euphorbia	Euphorbia paralias

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myrtaceae	Eucalyptus	Eucalyptus globulus

Kingdom	Family	Genus	Species
Plantae	Myrtaceae	Eucalyptus	Eucalyptus globulus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Eucalyptus	Eucalyptus globulus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Myrtaceae	Eucalyptus	Eucalyptus globulus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myrtaceae	Eucalyptus	Eucalyptus globulus

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Celastraceae	Microtropis	Microtropis fokienensis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Celastraceae	Microtropis	Microtropis fokienensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Celastraceae	Microtropis	Microtropis fokienensis

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Moraceae	Morus	Morus alba

Kingdom	Family	Genus	Species
Plantae	Moraceae	Morus	Morus alba

Family	Genus	Species
Moraceae	Morus	Morus alba

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Moraceae	Morus	Morus alba
Eukaryota	Viridiplantae	Streptophyta	Moraceae	Morus	Morus alba

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Moraceae	Morus	Morus alba
Eukaryota	Archaeplastida	Streptophyta	Moraceae	Morus	Morus alba

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Moraceae	Morus	Morus alba
Plantae	Tracheophyta	Moraceae	Morus	Morus alba

Ref:

Kingdom	Family	Genus	Species
Plantae	Euphorbiaceae	Euphorbia	Euphorbia micractina

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Euphorbiaceae	Euphorbia	Euphorbia micractina

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Euphorbiaceae	Euphorbia	Euphorbia micractina

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Euphorbia	Euphorbia micractina

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Sapotaceae	Englerophytum	Englerophytum magalismontanum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Sapotaceae	Englerophytum	Englerophytum magalismontanum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Sapotaceae	Englerophytum	Englerophytum magalismontanum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Cylicodiscus	Cylicodiscus gabunensis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Cylicodiscus	Cylicodiscus gabunensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Cylicodiscus	Cylicodiscus gabunensis

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Pyracantha	Pyracantha coccinea

Kingdom	Family	Genus	Species
Plantae	Rosaceae	Pyracantha	Pyracantha coccinea

Family	Genus	Species
Rosaceae	Pyracantha	Pyracantha coccinea

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rosaceae	Pyracantha	Pyracantha coccinea

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Pyracantha	Pyracantha coccinea

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rosaceae	Pyracantha	Pyracantha coccinea

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ebenaceae	Diospyros	Diospyros montana

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Ebenaceae	Diospyros	Diospyros montana

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Ebenaceae	Diospyros	Diospyros montana

Ref:

Kingdom	Family	Genus	Species
Plantae	Celastraceae	Salacia	Salacia chinensis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Celastraceae	Salacia	Salacia chinensis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Celastraceae	Salacia	Salacia chinensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Celastraceae	Salacia	Salacia chinensis

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Ericaceae	Rhododendron	Rhododendron groenlandicum
Plantae	Tracheophyta	Ericaceae	Ledum	Ledum palustre

Kingdom	Family	Genus	Species
Plantae	Ericaceae	Rhododendron	Rhododendron groenlandicum
Plantae	Ericaceae	Rhododendron	Rhododendron tomentosum

Family	Genus	Species
Ericaceae	Rhododendron	Rhododendron groenlandicum
Ericaceae	Rhododendron	Rhododendron tomentosum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ericaceae	Rhododendron	Rhododendron groenlandicum
Eukaryota	Archaeplastida	Streptophyta	Ericaceae	Rhododendron	Rhododendron tomentosum

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Ericaceae	Rhododendron	Rhododendron tomentosum
Eukaryota	Viridiplantae	Streptophyta	Ericaceae	Rhododendron	Rhododendron groenlandicum

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Ericaceae	Rhododendron	Rhododendron tomentosum
Plantae	Tracheophyta	Ericaceae	Rhododendron	Rhododendron groenlandicum
Plantae	Tracheophyta	Ericaceae	Rhododendron	Rhododendron groenlandicum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Bignoniaceae	Fridericia	Fridericia samydoides

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Vitex	Vitex cauliflora

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apocynaceae	Nerium	Nerium oleander

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ebenaceae	Diospyros	Diospyros kaki

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Helichrysum	Helichrysum italicum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Cydonia	Cydonia oblonga

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aquifoliaceae	Ilex	Ilex buxifolia
Eukaryota	Archaeplastida	Streptophyta	Aquifoliaceae	Ilex	Ilex affinis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Aquifoliaceae	Ilex	Ilex affinis
Eukaryota	Viridiplantae	Streptophyta	Aquifoliaceae	Ilex	Ilex buxifolia

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ericaceae	Rhododendron	Rhododendron degronianum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Loganiaceae	Strychnos	Strychnos spinosa

Ref:

Domain	Kingdom	Phylum	Family	Genus	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Prunus
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Prunus	Prunus avium

Superkingdom	Kingdom	Phylum	Family	Genus	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rosaceae	Prunus
Eukaryota	Viridiplantae	Streptophyta	Rosaceae	Prunus	Prunus avium

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Rosaceae	Prunus	Prunus avium
Plantae	Tracheophyta	Rosaceae	Prunus
Plantae	Tracheophyta	Rosaceae	Prunus	Prunus avium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Eriobotrya	Eriobotrya japonica

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Myrtaceae	Callistemon	Callistemon citrinus
Eukaryota	Viridiplantae	Streptophyta	Myrtaceae	Callistemon	Callistemon lanceolatus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Callistemon	Callistemon citrinus
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Callistemon	Callistemon lanceolatus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myrtaceae	Callistemon	Callistemon lanceolatus
Plantae	Tracheophyta	Myrtaceae	Callistemon	Callistemon citrinus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Cydonia	Cydonia oblonga

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ericaceae	Leucothoe	Leucothoe keiskei

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ebenaceae	Diospyros	Diospyros lotus
Eukaryota	Archaeplastida	Streptophyta	Ebenaceae	Diospyros	Diospyros maingayi

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Ebenaceae	Diospyros	Diospyros lotus
Eukaryota	Viridiplantae	Streptophyta	Ebenaceae	Diospyros	Diospyros maingayi

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Solanaceae	Nierembergia	Nierembergia linariifolia
Eukaryota	Viridiplantae	Streptophyta	Solanaceae	Nierembergia	Nierembergia hippomanica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Solanaceae	Nierembergia	Nierembergia linariifolia
Eukaryota	Archaeplastida	Streptophyta	Solanaceae	Nierembergia	Nierembergia hippomanica

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Crataegus	Crataegus pinnatifi
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Crataegus	Crataegus pinnatifida

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Aquifoliaceae	Ilex	Ilex aquifolium

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rosaceae	Sorbus	Sorbus decora

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Celastraceae	Euonymus	Euonymus alatus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Baccharis	Baccharis dracunculifolia

Ref:

Chemical ontology

Pathway	Superclass	Class
Terpenoids	Triterpenoids	Ursane and Taraxastane triterpenoids

Molecular Properties

Total atom number	82
Heavy atom number	32
Bond count	36
Number of carbons	30
Minimal number of rings	5
Maximal number of rings	14

Molecular Descriptors

NP-likeness score	1
Alogp	6.26
Alogp2	39.17
Apol	87.7436
Bpol	54.6603
EccentricConnectivityIndexDescriptor	648
FmfDescriptor	0.6875
Fsp3	0.9333
FragmentComplexityDescriptor	6404.02
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	1
WienerPathNumber	2433
Xlogp	9.261
ZagrebIndex	196
TopoPSA	40.46