Summary

IMPPAT Phytochemical identifier: IMPHY009747

Phytochemical name: 6-Methyl-2-(4-methylphenyl)hept-5-en-2-ol

Synonymous chemical names:
gossonorol

External chemical identifiers:
CID:185199, ChEMBL:CHEMBL465590, SureChEMBL:SCHEMBL2944929

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Chemical structure information

SMILES:
CC(=CCCC(c1ccc(cc1)C)(O)C)C

InChI:
InChI=1S/C15H22O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-10,16H,5,11H2,1-4H3

InChIKey:
WQIRCLDVWQIBLO-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCcccccc6))C)))))O)C)))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 1.001

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Chemical structure download