Summary

IMPPAT Phytochemical identifier: IMPHY006168

Phytochemical name: Calamensesquiterpinenol

Synonymous chemical names:
calamensesquiterpinenol

External chemical identifiers:
CID:75250012, ChEBI:173706

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Chemical structure information

SMILES:
CC1CCC2C31CC(CC3O)(C)C(=O)C2(C)C

InChI:
InChI=1S/C15H24O2/c1-9-5-6-10-13(2,3)12(17)14(4)7-11(16)15(9,10)8-14/h9-11,16H,5-8H2,1-4H3

InChIKey:
DDUWSZBURGHFEW-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCCC5O)))C)C=O)C6C)C

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC23CCC1C3

Scaffold Graph/Node level:
OC1CC2CCCC23CCC1C3

Scaffold Graph level:
CC1CC2CCCC23CCC1C3

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 3.138

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Chemical structure download