Summary

IMPPAT Phytochemical identifier: IMPHY016005

Phytochemical name: (2E)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol

Synonymous chemical names:
(2)-lanceol, (z)-lanceol

External chemical identifiers:
CID:15560069, ChEMBL:CHEMBL443875

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Chemical structure information

SMILES:
OC/C(=C/CCC(=C)[C@H]1CCC(=CC1)C)/C

InChI:
InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5+/t15-/m1/s1

InChIKey:
HBVOEGGRCJCMLG-DTHCKZEYSA-N

DeepSMILES:
OC/C=C/CCC=C)[C@H]CCC=CC6))C)))))))))/C

Functional groups:
C/C=C(/C)C, C=C(C)C, CC=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: 3.195

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Chemical structure download