Summary

IMPPAT Phytochemical identifier: IMPHY014618

Phytochemical name: 11beta-Methoxyerythraline

Synonymous chemical names:
11beta-methoxyerythraline

External chemical identifiers:
CID:102506561

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Chemical structure information

SMILES:
CO[C@@H]1C=CC2=CCN3[C@]2(C1)c1cc2OCOc2cc1[C@@H](C3)OC

InChI:
InChI=1S/C19H21NO4/c1-21-13-4-3-12-5-6-20-10-18(22-2)14-7-16-17(24-11-23-16)8-15(14)19(12,20)9-13/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-,18-,19+/m1/s1

InChIKey:
GCZWCRXEHAEXJD-ZNOIYHFQSA-N

DeepSMILES:
CO[C@@H]C=CC=CCN[C@]5C9)cccOCOc5cc9[C@@H]C%13)OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCN3CCc4cc5c(cc4C23CC1)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: 2.681

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Chemical structure download