Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001194

Phytochemical name: Caryophyllenyl alcohol

Synonymous chemical names:
Caryophyllenyl alcohol, caryophyllenyl alcohol

External chemical identifiers:
CID:CID_91704770

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Chemical structure information

SMILES:
CC1CCC(O)/C(=C\CC2C1CC2(C)C)/C

InChI:
InChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,10,12-14,16H,6-9H2,1-4H3/b11-5-

InChIKey:
QYGTVPFTIUUDSL-WZUFQYTHSA-N

DeepSMILES:
CCCCCO)/C=C\CCC9CC4C)C)))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCC2CCCC1

Scaffold Graph/Node level:
C1CCCC2CCC2CCC1

Scaffold Graph level:
C1CCCC2CCC2CCC1

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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: Caryophyllane sesquiterpenoids

NP-Likeness score: 3.151

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Chemical structure download