Summary

IMPPAT Phytochemical identifier: IMPHY010770

Phytochemical name: Erysopinophorine

Synonymous chemical names:
erysopinophorine

Chemical structure information

SMILES:
COC1C=CC2=CCN3C2(C1)c1cc(O)c(cc1CC3)OC(=O)C([N+](C)(C)C)Cc1c[nH]c2c1cccc2

InChI:
InChI=1S/C31H35N3O4/c1-34(2,3)27(15-21-19-32-26-8-6-5-7-24(21)26)30(36)38-29-16-20-11-13-33-14-12-22-9-10-23(37-4)18-31(22,33)25(20)17-28(29)35/h5-10,12,16-17,19,23,27,32H,11,13-15,18H2,1-4H3/p+1

InChIKey:
HQAMSNISLJCVLQ-UHFFFAOYSA-O

DeepSMILES:
COCC=CC=CCNC5C9)cccO)ccc6CC%10))))OC=O)C[N+]C)C)C))Ccc[nH]cc5cccc6

Functional groups:
CC=CC(C)=CC, CN(C)C, COC, C[N+](C)(C)C, cO, cOC(C)=O, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1c[nH]c2ccccc12)Oc1ccc2c(c1)CCN1CC=C3C=CCCC321

Scaffold Graph/Node level:
OC(CCC1CNC2CCCCC12)OC1CCC2C(CCN3CCC4CCCCC423)C1

Scaffold Graph level:
CC(CCC1CCC2CCCCC21)CC1CCC2C(CCC3CCC4CCCCC432)C1

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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: 1.853

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Chemical structure download