Summary

IMPPAT Phytochemical identifier: IMPHY008453

Phytochemical name: Furo(2,3-b)quinolin-4(9H)-one, 6,8-dimethoxy-9-methyl-

Synonymous chemical names:
isomaculosidine

External chemical identifiers:
CID:3083609, ZINC:ZINC000015222544, MolPort-044-726-710

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Chemical structure information

SMILES:
COc1cc(OC)cc2c1n(C)c1c(c2=O)cco1

InChI:
InChI=1S/C14H13NO4/c1-15-12-10(6-8(17-2)7-11(12)18-3)13(16)9-4-5-19-14(9)15/h4-7H,1-3H3

InChIKey:
FXHBKLQQNAGNJN-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6nC)ccc6=O))cco5

Functional groups:
c=O, cOC, cn(c)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2occc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2OCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Furanoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.968

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Chemical structure download