Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006397

Phytochemical name: beta-Costol

Synonymous chemical names:
beta-Costol

External chemical identifiers:
CID:CID_12304104

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Chemical structure information

SMILES:
OCC(=C)C1CCC2(C(C1)C(=C)CCC2)C

InChI:
InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3

InChIKey:
FKWGZOFNSIESOX-UHFFFAOYSA-N

DeepSMILES:
OCC=C)CCCCCC6)C=C)CCC6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.108

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Chemical structure download