Summary

IMPPAT Phytochemical identifier: IMPHY004655

Phytochemical name: Annomontine

Synonymous chemical names:
annomontine

External chemical identifiers:
CID:5257090, ChEMBL:CHEMBL501413, ChEBI:65409, ZINC:ZINC000013365915, SureChEMBL:SCHEMBL2994062

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Chemical structure information

SMILES:
Nc1nccc(n1)c1nccc2c1[nH]c1c2cccc1

InChI:
InChI=1S/C15H11N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-8,19H,(H2,16,18,20)

InChIKey:
IUDMZJRPDRCJEB-UHFFFAOYSA-N

DeepSMILES:
Ncncccn6)cncccc6[nH]cc5cccc6

Functional groups:
cN, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1c(-c3ccncn3)nccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCNC1C1CCNCN1

Scaffold Graph level:
C1CCC(C2CCCC3C4CCCCC4CC23)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.171

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Chemical structure download