Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013491

Phytochemical name: Ginsenoyne E

Synonymous chemical names:
Ginsenoyne E, ginsenoyne e

External chemical identifiers:
CID:CID_5320336, ChEBI:CHEBI:173842, SureChEMBL:SCHEMBL10493749

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Chemical structure information

SMILES:
CCCCCCCC1OC1CC#CC#CC(=O)C=C

InChI:
InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3

InChIKey:
WIONCQLWGYLTME-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC3CC#CC#CC=O)C=C

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

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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 oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 2.37

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Chemical structure download