Summary

IMPPAT Phytochemical identifier: IMPHY017331

Phytochemical name: 10-Hydroxycalamenene

Synonymous chemical names:
10-hydroxy-calamenene, 10-hydroxycalamenene

External chemical identifiers:
CID:527158

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Chemical structure information

SMILES:
OCc1ccc2c(c1)C(CCC2C)C(C)C

InChI:
InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3

InChIKey:
LXEZVXMZNKFZNA-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6)CCCC6C))))CC)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.555

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Chemical structure download