Summary

IMPPAT Phytochemical identifier: IMPHY013926

Phytochemical name: 8-Methyl-7-propanoylindolizino[1,2-b]quinolin-9(11h)-one

Synonymous chemical names:
nothapodytin b (mappicine ketone)

External chemical identifiers:
CID:194006, ZINC:ZINC000000016249, SureChEMBL:SCHEMBL5862656

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Chemical structure information

SMILES:
CCC(=O)c1cc2-c3nc4ccccc4cc3Cn2c(=O)c1C

InChI:
InChI=1S/C19H16N2O2/c1-3-17(22)14-9-16-18-13(10-21(16)19(23)11(14)2)8-12-6-4-5-7-15(12)20-18/h4-9H,3,10H2,1-2H3

InChIKey:
QHTFEANXLNNBOX-UHFFFAOYSA-N

DeepSMILES:
CCC=O)ccc-cncccccc6cc%10Cn%13c=O)c%17C

Functional groups:
c=O, cC(C)=O, cn(c)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc2n1Cc1cc3ccccc3nc1-2

Scaffold Graph/Node level:
OC1CCCC2C3NC4CCCCC4CC3CN12

Scaffold Graph level:
CC1CCCC2C1CC1CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Pyrroloquinoline alkaloids

NP-Likeness score: -0.127

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Chemical structure download