Summary

IMPPAT Phytochemical identifier: IMPHY013275

Phytochemical name: Ginsenoyne H

Synonymous chemical names:
ginsenoyne h

External chemical identifiers:
CID:15725814

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Chemical structure information

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

InChI:
InChI=1S/C19H26O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h4,17-19H,1,5-8,11,14-15H2,2-3H3

InChIKey:
DFNOHNMHWQVJHX-UHFFFAOYSA-N

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

Functional groups:
C=CC, CC#CC#CC, CC1OC1C, COC(C)=O

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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: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 2.383

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Chemical structure download