Summary

IMPPAT Phytochemical identifier: IMPHY014282

Phytochemical name: 11-Methoxyerythraline

Synonymous chemical names:
11-methoxyerythraline

External chemical identifiers:
CID:13995227

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Chemical structure information

SMILES:
CO[C@@H]1CC23N(CCC2=C[C@H]1C)C[C@@H](c1c3cc2OCOc2c1)OC

InChI:
InChI=1S/C20H25NO4/c1-12-6-13-4-5-21-10-19(23-3)14-7-16-17(25-11-24-16)8-15(14)20(13,21)9-18(12)22-2/h6-8,12,18-19H,4-5,9-11H2,1-3H3/t12-,18-,19+,20?/m1/s1

InChIKey:
DUQSQJNUWSHXAW-JUEMWCFGSA-N

DeepSMILES:
CO[C@@H]CCNCCC5=C[C@H]9C))))))C[C@@H]cc6ccOCOc5c9)))))))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3CCc4cc5c(cc4C23CCC1)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: 2.004

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Chemical structure download