Summary

IMPPAT Phytochemical identifier: IMPHY017041

Phytochemical name: 4-Methyl-3-cyclohexenol

Synonymous chemical names:
3-cyclohexen-1-ol,4 methyl

External chemical identifiers:
CID:12882493, SureChEMBL:SCHEMBL1660540

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Chemical structure information

SMILES:
OC1CCC(=CC1)C

InChI:
InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h2,7-8H,3-5H2,1H3

InChIKey:
SHRVHWWZRZPZFL-UHFFFAOYSA-N

DeepSMILES:
OCCCC=CC6))C

Functional groups:
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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Germacrane sesquiterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 3.119

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Chemical structure download