Summary

IMPPAT Phytochemical identifier: IMPHY009078

Phytochemical name: 4,8-dimethoxy-9H-pyrido[3,4-b]indole

Synonymous chemical names:
picrasidine p

External chemical identifiers:
CID:11042476, ZINC:ZINC000015119284

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Chemical structure information

SMILES:
COc1cccc2c1[nH]c1c2c(OC)cnc1

InChI:
InChI=1S/C13H12N2O2/c1-16-10-5-3-4-8-12-9(15-13(8)10)6-14-7-11(12)17-2/h3-7,15H,1-2H3

InChIKey:
XGHOPBXTZOLJBY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6[nH]cc5cOC))cnc6

Functional groups:
cOC, 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: 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: 0.252

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Chemical structure download