Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013701

Phytochemical name: 7-Methoxy-9H-pyrido[3,4-b]indole

Synonymous chemical names:
norharmine(7-methoxy-β-carboline), norharmine

External chemical identifiers:
CID:CID_9815570, ChEMBL:CHEMBL6470, SureChEMBL:SCHEMBL4823690

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Chemical structure information

SMILES:
COc1ccc2c(c1)[nH]c1c2ccnc1

InChI:
InChI=1S/C12H10N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-7,14H,1H3

InChIKey:
LMDPJJFWLNRVEH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)[nH]cc5ccnc6

Functional groups:
c[nH]c, cOC, 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: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: -0.092

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Chemical structure download