Summary

IMPPAT Phytochemical identifier: IMPHY016316

Phytochemical name: 2-Cyclohexen-1-ol, 2,4,4-trimethyl-

Synonymous chemical names:
2,4,4-trimethyl-2-cyclohexenol

External chemical identifiers:
CID:558476, SureChEMBL:SCHEMBL1305369

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Chemical structure information

SMILES:
OC1CCC(C=C1C)(C)C

InChI:
InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h6,8,10H,4-5H2,1-3H3

InChIKey:
ICOGGQPDWLYTOZ-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=C6C)))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: 2.733

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Chemical structure download