Summary

IMPPAT Phytochemical identifier: IMPHY001000

Phytochemical name: Erysonine

Synonymous chemical names:
erysonine

External chemical identifiers:
CID:442218, ChEBI:4837, ZINC:ZINC000056871304

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Chemical structure information

SMILES:
COc1cc2c(cc1O)CCN1[C@@]32C[C@@H](O)C=CC3=CC1

InChI:
InChI=1S/C17H19NO3/c1-21-16-9-14-11(8-15(16)20)4-6-18-7-5-12-2-3-13(19)10-17(12,14)18/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13?,17-/m0/s1

InChIKey:
OOQFZQDSQKMUFW-RUINGEJQSA-N

DeepSMILES:
COcccccc6O)))CCN[C@]6C[C@@H]O)C=CC6=CC9

Functional groups:
CC=C(C)C=CC, CN(C)C, CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCN3CCc4ccccc4C23CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CCC3CCCCC321

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCCC312

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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: 2.842

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Chemical structure download