Summary

IMPPAT Phytochemical identifier: IMPHY016825

Phytochemical name: 2,7,7-Trimethylbicyclo[3.1.1]hept-1(6)-en-2-ol

Synonymous chemical names:
pinene-2-ol

External chemical identifiers:
CID:22013424, SureChEMBL:SCHEMBL7937133

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Chemical structure information

SMILES:
CC1(O)CCC2C=C1C2(C)C

InChI:
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h6-7,11H,4-5H2,1-3H3

InChIKey:
HAFVOINCFBIHOU-UHFFFAOYSA-N

DeepSMILES:
CCO)CCCC=C6C4C)C

Functional groups:
CC1=CCC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC1C2

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: 2.528

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Chemical structure download