Summary

IMPPAT Phytochemical identifier: IMPHY012603

Phytochemical name: Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy-

Synonymous chemical names:
2.2.6,7-tetramethyl-7-hydroxy-bicyclo[4.3.0]nonane

External chemical identifiers:
CID:536446

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Chemical structure information

SMILES:
CC1(C)CCCC2(C1CCC2(C)O)C

InChI:
InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)10(11)6-9-13(12,4)14/h10,14H,5-9H2,1-4H3

InChIKey:
FKJSYGBGLOFDEN-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCC6CCC5C)O)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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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: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 2.691

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Chemical structure download