Summary

IMPPAT Phytochemical identifier: IMPHY015963

Phytochemical name: 7,7-Dimethyl-4-methylidenebicyclo[4.1.0]heptan-5-ol

Synonymous chemical names:
trans-3(10)-carene-2-ol

External chemical identifiers:
CID:572861

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Chemical structure information

SMILES:
C=C1CCC2C(C1O)C2(C)C

InChI:
InChI=1S/C10H16O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h7-9,11H,1,4-5H2,2-3H3

InChIKey:
IJAJJCQIFGPPLA-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6O))C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC2C1

Scaffold Graph/Node level:
CC1CCC2CC2C1

Scaffold Graph level:
CC1CCC2CC2C1

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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 Classifier Class: Carane monoterpenoids

NP-Likeness score: 3.409

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Chemical structure download