Summary

IMPPAT Phytochemical identifier: IMPHY006345

Phytochemical name: Erythratine

Synonymous chemical names:
erythrantine, erythratine

External chemical identifiers:
CID:617879, ChEBI:175047

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Chemical structure information

SMILES:
COC1CC23N(CCC2=CC1O)CCc1c3cc2OCOc2c1

InChI:
InChI=1S/C18H21NO4/c1-21-17-9-18-12(7-14(17)20)3-5-19(18)4-2-11-6-15-16(8-13(11)18)23-10-22-15/h6-8,14,17,20H,2-5,9-10H2,1H3

InChIKey:
ZIAIDGYDHGYWBH-UHFFFAOYSA-N

DeepSMILES:
COCCCNCCC5=CC9O))))))CCcc6ccOCOc5c9

Functional groups:
CC=C(C)C, CN(C)C, CO, COC, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3CCc4cc5c(cc4C23CCC1)OCO5

Scaffold Graph/Node level:
C1CCC23C(C1)CCN2CCC1CC2OCOC2CC13

Scaffold Graph level:
C1CC2CC3CCC4CCC5CCCCC54C3CC2C1

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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: 2.356

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Chemical structure download