Summary

IMPPAT Phytochemical identifier: IMPHY016577

Phytochemical name: 4,6,6-Trimethylbicyclo[3.1.1]hept-2-en-4-ol

Synonymous chemical names:
cis-pinen-3-ol

External chemical identifiers:
CID:349147, SureChEMBL:SCHEMBL7928999

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Chemical structure information

SMILES:
CC1(O)C=CC2CC1C2(C)C

InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h4-5,7-8,11H,6H2,1-3H3

InChIKey:
QBKKSIMANOEXOI-UHFFFAOYSA-N

DeepSMILES:
CCO)C=CCCC6C4C)C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Pinane monoterpenoids

NP-Likeness score: 2.712

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Chemical structure download