Summary

IMPPAT Phytochemical identifier: IMPHY016880

Phytochemical name: 2,6,6-Trimethylcyclohex-2-ene-1-methanol

Synonymous chemical names:
α- cyclogeraniol+, α-cyclogeraniol

External chemical identifiers:
CID:97932, SureChEMBL:SCHEMBL4668057

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Chemical structure information

SMILES:
OCC1C(=CCCC1(C)C)C

InChI:
InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3

InChIKey:
WFBRXMMODZGJPF-UHFFFAOYSA-N

DeepSMILES:
OCCC=CCCC6C)C)))))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: Monoterpenoids

NP-Likeness score: 3.093

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Chemical structure download