Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018268

Phytochemical name: 6-Methyl-2-(4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-ol

Synonymous chemical names:
6-Methyl-2-(4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-ol

Chemical structure information

SMILES:
CC(=CC(CC(=C)C1CCC(=CC1)C)O)C

InChI:
InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14-16H,4,6-8,10H2,1-3H3

InChIKey:
HGURSBWDVNEOKP-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=C)CCCC=CC6))C)))))))O)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: 2.722

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Chemical structure download