Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008544

Phytochemical name: Isodictamnine

Synonymous chemical names:
Isodictamnine, isodictamnine

External chemical identifiers:
CID:CID_442913, ChEMBL:CHEMBL509839, ChEBI:CHEBI:6001, ZINC:ZINC000000900208, MolPort-044-726-708

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Chemical structure information

SMILES:
Cn1c2ccccc2c(=O)c2c1occ2

InChI:
InChI=1S/C12H9NO2/c1-13-10-5-3-2-4-8(10)11(14)9-6-7-15-12(9)13/h2-7H,1H3

InChIKey:
FUVCJKNEOUWLPI-UHFFFAOYSA-N

DeepSMILES:
Cncccccc6c=O)cc%10occ5

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

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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: Acridone alkaloids, Quinoline alkaloids

NP-Likeness score: 0.782

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Chemical structure download