Summary

IMPPAT Phytochemical identifier: IMPHY000170

Phytochemical name: Erythromotidienone

Synonymous chemical names:
erythromotidienone

External chemical identifiers:
CID:10539760, MolPort-039-336-408

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Chemical structure information

SMILES:
COc1ccc2c(c1)C13CCC=CC1=CC(=O)N3CC2

InChI:
InChI=1S/C17H17NO2/c1-20-14-6-5-12-7-9-18-16(19)10-13-4-2-3-8-17(13,18)15(12)11-14/h2,4-6,10-11H,3,7-9H2,1H3

InChIKey:
ZQDRZDNVDHPYTB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)CCCC=CC6=CC=O)N9CC%13

Functional groups:
CC=CC1=CC(=O)N(C)C1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CCCC23c2ccccc2CCN13

Scaffold Graph/Node level:
OC1CC2CCCCC23C2CCCCC2CCN13

Scaffold Graph level:
CC1CC2CCCCC23C1CCC1CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Erythrina alkaloids

ClassyFire Subclass: Erythrinanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 1.511

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Chemical structure download