Summary

IMPPAT Phytochemical identifier: IMPHY008070

Phytochemical name: Erythramine

Synonymous chemical names:
erythramine

External chemical identifiers:
CID:101289752

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Chemical structure information

SMILES:
CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCc1c3cc2OCOc2c1

InChI:
InChI=1S/C18H21NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2,8-9,14H,3-7,10-11H2,1H3/t14-,18-/m0/s1

InChIKey:
UGJWEDNGBKKYSX-KSSFIOAISA-N

DeepSMILES:
CO[C@H]CC=C[C@]C6)NCC5))CCcc6ccOCOc5c9

Functional groups:
CC=C(C)C, 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: 2.098

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Chemical structure download