Summary

IMPPAT Phytochemical identifier: IMPHY007701

Phytochemical name: Brevicarine

Synonymous chemical names:
brevicarine

External chemical identifiers:
CID:5490034, ChEMBL:CHEMBL1475048, ZINC:ZINC000019703392, SureChEMBL:SCHEMBL15228183

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Chemical structure information

SMILES:
CNCCCCc1cnc(c2c1c1ccccc1[nH]2)C

InChI:
InChI=1S/C17H21N3/c1-12-17-16(14-8-3-4-9-15(14)20-17)13(11-19-12)7-5-6-10-18-2/h3-4,8-9,11,18,20H,5-7,10H2,1-2H3

InChIKey:
OMGIBPZQATWNBX-UHFFFAOYSA-N

DeepSMILES:
CNCCCCccnccc6cccccc6[nH]9)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1cnccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CNCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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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: 0.28

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Chemical structure download