LOTUS: Natural Products Online

Q104400256

Name	Tetracosyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Wikidata	Q104400256
Mol. formula	C34H58O4
CAS registry number	-
Mol. weight	530.8232

Representations

Temporary LOTUS id	LTS0223685
Name	Tetracosyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1
2D SMILES	CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1
IUPAC name	tetracosyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI	InChI=1S/C34H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-34(36)28-26-31-25-27-32(35)33(30-31)37-2/h25-28,30,35H,3-24,29H2,1-2H3/b28-26+
InChIKey	VUUWEVURXOCTGG-BYCLXTJYSA-N
Deep SMILES	could not be computed
Murcko Framework	c1ccccc1

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myrtaceae	Calyptranthes	Calyptranthes pallens

Kingdom	Family	Genus	Species
Plantae	Myrtaceae	Calyptranthes	Calyptranthes pallens

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Calyptranthes	Calyptranthes pallens

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Myrtaceae	Calyptranthes	Calyptranthes pallens

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Myrtaceae	Calyptranthes	Calyptranthes pallens

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Primulaceae	Ardisia	Ardisia virens

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Primulaceae	Ardisia	Ardisia virens

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Primulaceae	Ardisia	Ardisia polysticta

Ref:

Kingdom	Family	Genus
Plantae	Lauraceae	Ocotea

Superkingdom	Kingdom	Phylum	Family	Genus	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Lauraceae	Ocotea

Domain	Kingdom	Phylum	Family	Genus	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lauraceae	Ocotea

Kingdom	Phylum	Family	Genus	Link to taxonomy
Plantae	Tracheophyta	Lauraceae	Ocotea

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Muntingiaceae	Muntingia	Muntingia calabura

Kingdom	Family	Genus	Species
Plantae	Muntingiaceae	Muntingia	Muntingia calabura

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Muntingiaceae	Muntingia	Muntingia calabura

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Muntingiaceae	Muntingia	Muntingia calabura

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Muntingiaceae	Muntingia	Muntingia calabura

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum ailanthoides

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum ailanthoides

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum	Zanthoxylum ailanthoides

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Orchidaceae	Dendrobium	Dendrobium loddigesii

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Orchidaceae	Dendrobium	Dendrobium loddigesii

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Orchidaceae	Dendrobium	Dendrobium loddigesii

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Boraginaceae	Arnebia	Arnebia euchroma

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Boraginaceae	Arnebia	Arnebia euchroma

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Boraginaceae	Arnebia	Arnebia euchroma

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum dimorphophyllum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum	Zanthoxylum dimorphophyllum

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Bauhinia	Bauhinia guianensis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Hibiscus	Hibiscus taiwanensis

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Malvaceae	Hibiscus	Hibiscus taiwanensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Malvaceae	Hibiscus	Hibiscus taiwanensis

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Piperaceae	Piper	Piper sintenense

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Piperaceae	Piper	Piper sintenense

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Piperaceae	Piper	Piper sintenense

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum ailanthoides

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum ailanthoides

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Rutaceae	Zanthoxylum	Zanthoxylum ailanthoides

Ref:

Kingdom	Family	Genus	Species
Plantae	Euphorbiaceae	Croton	Croton megalocarpus

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Euphorbiaceae	Croton	Croton megalocarpus

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Euphorbiaceae	Croton	Croton megalocarpus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Croton	Croton megalocarpus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Celastraceae	Reissantia	Reissantia buchananii

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Celastraceae	Reissantia	Reissantia buchananii

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Celastraceae	Reissantia	Reissantia buchananii

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fagaceae	Quercus	Quercus alba

Kingdom	Family	Genus	Species
Plantae	Fagaceae	Quercus	Quercus alba

Family	Genus	Species
Fagaceae	Quercus	Quercus alba

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fagaceae	Quercus	Quercus alba

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Melicope	Melicope semecarpifolia

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum simulans

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Gmelina	Gmelina vitiensis

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fagaceae	Quercus	Quercus lanceaefolia

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Malvaceae	Hibiscus	Hibiscus taiwanensis

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Zanthoxylum	Zanthoxylum schinifolium

Ref:

Chemical ontology

Pathway	Superclass	Class
Polyketides	-	-

Molecular Properties

Total atom number	96
Heavy atom number	38
Bond count	38
Number of carbons	34
Minimal number of rings	1
Maximal number of rings	1

Molecular Descriptors

NP-likeness score	1
Alogp	12.32
Alogp2	151.83
Apol	101.722
Bpol	68.196
EccentricConnectivityIndexDescriptor	1888
FmfDescriptor	0.1579
Fsp3	0.7353
FragmentComplexityDescriptor	7810.04
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	3
WienerPathNumber	8366
Xlogp	14.201
ZagrebIndex	160
TopoPSA	55.76

Kingdom	Superclass	Class	Direct Parent
Organic compounds	Phenylpropanoids and polyketides	Cinnamic acids and derivatives	Coumaric acids and derivatives