Summary

IMPPAT Phytochemical identifier: IMPHY015549

Phytochemical name: Caryophylladienol

Synonymous chemical names:
caryophylladienol

External chemical identifiers:
CID:91747928

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Chemical structure information

SMILES:
C=C1CCC2C(C(=C)CC(C1)O)CC2(C)C

InChI:
InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h12-14,16H,1-2,5-9H2,3-4H3

InChIKey:
ASLIKDGYUZGYOV-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC=C)CCC9)O))))CC4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC(=C)C2CCC2CC1

Scaffold Graph/Node level:
CC1CCCC(C)C2CCC2CC1

Scaffold Graph level:
CC1CCCC(C)C2CCC2CC1

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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: 3.425

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Chemical structure download