Summary

IMPPAT Phytochemical identifier: IMPHY008959

Phytochemical name: Erythroculine

Synonymous chemical names:
erythroculine

Chemical structure information

SMILES:
COC1CC=C2C3(C1)N(CC2)CCc1c3cc(C(=O)OC)c(c1)OC

InChI:
InChI=1S/C20H25NO4/c1-23-15-5-4-14-7-9-21-8-6-13-10-18(24-2)16(19(22)25-3)11-17(13)20(14,21)12-15/h4,10-11,15H,5-9,12H2,1-3H3

InChIKey:
PPFOELFAZNRRHY-UHFFFAOYSA-N

DeepSMILES:
COCCC=CCC6)NCC5))CCcc6ccC=O)OC)))cc6)OC

Functional groups:
CC=C(C)C, CN(C)C, COC, cC(=O)OC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3CCc4ccccc4C23CCC1

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: 1.639

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Chemical structure download