Summary

IMPPAT Phytochemical identifier: IMPHY002506

Phytochemical name: Erysopitine

Synonymous chemical names:
erysopitine

Chemical structure information

SMILES:
COC1CC23N(CCC2=CC1O)CCc1c3cc(O)c(c1)O

InChI:
InChI=1S/C17H21NO4/c1-22-16-9-17-11(7-15(16)21)3-5-18(17)4-2-10-6-13(19)14(20)8-12(10)17/h6-8,15-16,19-21H,2-5,9H2,1H3

InChIKey:
JNEAOYNEZKTYPO-UHFFFAOYSA-N

DeepSMILES:
COCCCNCCC5=CC9O))))))CCcc6ccO)cc6)O

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

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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: 2.631

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Chemical structure download