Summary

IMPPAT Phytochemical identifier: IMPHY007568

Phytochemical name: Murrayanine

Synonymous chemical names:
murrayanine, murrayanine (1-methoxy-3-formylcarbazole)

External chemical identifiers:
CID:96942, ChEMBL:CHEMBL1689802, ChEBI:69934, FDASRS:3NIN8IA768, SureChEMBL:SCHEMBL3087481

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Chemical structure information

SMILES:
COc1cc(C=O)cc2c1[nH]c1c2cccc1

InChI:
InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3

InChIKey:
FWNZQNAJETXQPP-UHFFFAOYSA-N

DeepSMILES:
COcccC=O))ccc6[nH]cc5cccc6

Functional groups:
cC=O, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

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: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 0.496

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Chemical structure download