Summary

IMPPAT Phytochemical identifier: IMPHY008386

Phytochemical name: Murrayacarine

Synonymous chemical names:
murrayacarine

External chemical identifiers:
CID:11977126

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Chemical structure information

SMILES:
COC(=O)/C(=CC(=O)c1c[nH]c2c1cccc2)/C

InChI:
InChI=1S/C14H13NO3/c1-9(14(17)18-2)7-13(16)11-8-15-12-6-4-3-5-10(11)12/h3-8,15H,1-2H3/b9-7-

InChIKey:
DOTJZAALWJYBRD-CLFYSBASSA-N

DeepSMILES:
COC=O)/C=CC=O)cc[nH]cc5cccc6)))))))))))/C

Functional groups:
cC(=O)/C=C(/C)C(=O)OC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: 0.531

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Chemical structure download