Summary

IMPPAT Phytochemical identifier: IMPHY015248

Phytochemical name: 4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-ol

Synonymous chemical names:
2-caren-4-ol, trans-2-caren-4-ol

External chemical identifiers:
CID:520984, SureChEMBL:SCHEMBL11227456

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Chemical structure information

SMILES:
CC1=CC2C(CC1O)C2(C)C

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

InChIKey:
XCIZLAMMPDJKRZ-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6O)))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: 3.567

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Chemical structure download