Summary

IMPPAT Phytochemical identifier: IMPHY017033

Phytochemical name: Bornenol

Synonymous chemical names:
bornenol

External chemical identifiers:
CID:12610764, SureChEMBL:SCHEMBL6391628

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Chemical structure information

SMILES:
OC1=CC2C(C1(C)CC2)(C)C

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

InChIKey:
QCSCVXPUXNDOGX-UHFFFAOYSA-N

DeepSMILES:
OC=CCCC5C)CC5)))C)C

Functional groups:
CC=C(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Enols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 1.965

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Chemical structure download