Summary

IMPPAT Phytochemical identifier: IMPHY001373

Phytochemical name: Potassium chelidonate

Synonymous chemical names:
potassium chelidonate

External chemical identifiers:
CID:102439234

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Chemical structure information

SMILES:
[O-]C(=O)c1oc(cc(=O)c1)C(=O)[O-].[K+].[K+]

InChI:
InChI=1S/C7H4O6.2K/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;;/h1-2H,(H,9,10)(H,11,12);;/q;2*+1/p-2

InChIKey:
NUWJHVONJMHIKQ-UHFFFAOYSA-L

DeepSMILES:
[O-]C=O)coccc=O)c6)))C=O)[O-].[K+].[K+]

Functional groups:
[K+], c=O, cC(=O)[O-], coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccocc1

Scaffold Graph/Node level:
OC1CCOCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP-Likeness score: 0.136

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Chemical structure download