Summary

IMPPAT Phytochemical identifier: IMPHY017902

Phytochemical name: (7,7-Dimethylbicyclo[4.1.0]hept-2-en-3-yl)methanol

Synonymous chemical names:
2-caren-10-ol

External chemical identifiers:
CID:9834009, SureChEMBL:SCHEMBL1071437

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Chemical structure information

SMILES:
OCC1=CC2C(CC1)C2(C)C

InChI:
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5,8-9,11H,3-4,6H2,1-2H3

InChIKey:
NATPOHWVZBGQEV-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC6))C3C)C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC2CC1

Scaffold Graph/Node level:
C1CCC2CC2C1

Scaffold Graph level:
C1CCC2CC2C1

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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: Carane monoterpenoids

NP-Likeness score: 3.506

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Chemical structure download