Summary

IMPPAT Phytochemical identifier: IMPHY000647

Phytochemical name: Erythrosotidienone

Synonymous chemical names:
erythrosotidienone

External chemical identifiers:
CID:10779195

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Chemical structure information

SMILES:
O=C1C=C2C3(N1CCc1c3cc3c(c1)OCO3)CCC=C2

InChI:
InChI=1S/C17H15NO3/c19-16-8-12-3-1-2-5-17(12)13-9-15-14(20-10-21-15)7-11(13)4-6-18(16)17/h1,3,7-9H,2,4-6,10H2

InChIKey:
KODVURBKJJBOHU-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCN5CCcc6cccc6)OCO5)))))))))))CCC=C6

Functional groups:
CC=CC1=CC(=O)N(C)C1, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CCCC23c2cc4c(cc2CCN13)OCO4

Scaffold Graph/Node level:
OC1CC2CCCCC23C2CC4OCOC4CC2CCN13

Scaffold Graph level:
CC1CC2CCCCC23C1CCC1CC2CCCC2CC13

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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: 1.818

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Chemical structure download