Summary

IMPPAT Phytochemical identifier: IMPHY003611

Phytochemical name: Erythrinine

Synonymous chemical names:
erythrinine

External chemical identifiers:
CID:3084503

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Chemical structure information

SMILES:
CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc2OCOc2cc1[C@H](C3)O

InChI:
InChI=1S/C18H19NO4/c1-21-12-3-2-11-4-5-19-9-15(20)13-6-16-17(23-10-22-16)7-14(13)18(11,19)8-12/h2-4,6-7,12,15,20H,5,8-10H2,1H3/t12-,15-,18-/m0/s1

InChIKey:
VBJYPSPIKMUCLP-QITLCBANSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCN3CCc4cc5c(cc4C23CC1)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: 2.893

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Chemical structure download