Summary

IMPPAT Phytochemical identifier: IMPHY014527

Phytochemical name: 8-Oxoerythrinine

Synonymous chemical names:
8-oxoerythrinine

External chemical identifiers:
CID:101042366, ZINC:ZINC000238768266

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Chemical structure information

SMILES:
CO[C@H]1C=CC2=CC(=O)N3[C@]2(C1)c1cc2OCOc2cc1[C@H](C3)O

InChI:
InChI=1S/C18H17NO5/c1-22-11-3-2-10-4-17(21)19-8-14(20)12-5-15-16(24-9-23-15)6-13(12)18(10,19)7-11/h2-6,11,14,20H,7-9H2,1H3/t11-,14-,18-/m0/s1

InChIKey:
KSPOUMZGYKWPPF-MIUNTBIASA-N

DeepSMILES:
CO[C@H]C=CC=CC=O)N[C@]5C9)cccOCOc5cc9[C@H]C%13)O

Functional groups:
CN1CC(C=CC)=CC1=O, CO, COC, 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: 2.444

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Chemical structure download