Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013488

Phytochemical name: Ginsenoyne A

Synonymous chemical names:
ginsenoyne a, Ginsenoyne A

External chemical identifiers:
CID:CID_5317632, ChEBI:CHEBI:173844

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Chemical structure information

SMILES:
C=CCCCCCC1OC1CC#CC#CC(C=C)O

InChI:
InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h3-4,15-18H,1-2,5-7,10,13-14H2

InChIKey:
FTXZFRIHQNXZNH-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCOC3CC#CC#CCC=C))O

Functional groups:
C=CC, CC1OC1C, CC#CC#CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 3.018

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Chemical structure download