Summary

IMPPAT Phytochemical identifier: IMPHY017475

Phytochemical name: (4-Propan-2-ylcyclohexa-1,3-dien-1-yl)methanol

Synonymous chemical names:
p-mentha-1,3-dren-7-ol

External chemical identifiers:
CID:556567, SureChEMBL:SCHEMBL1427812

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Chemical structure information

SMILES:
OCC1=CC=C(CC1)C(C)C

InChI:
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8,11H,4,6-7H2,1-2H3

InChIKey:
HBKLKBUNCSHWKO-UHFFFAOYSA-N

DeepSMILES:
OCC=CC=CCC6))CC)C

Functional groups:
CC1=CC=C(C)CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.34

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Chemical structure download