LKR

3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one

Created:	2022-11-25
Last modified:	2023-10-25

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2 entries where LKR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of LKR

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Chemical Component Summary
Name	3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
Synonyms	Robinetin
Systematic Name (OpenEye OEToolkits)	3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
Formula	C₁₅ H₁₀ O₇
Molecular Weight	302.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O
InChI	InChI	1.06	InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
InChIKey	InChI	1.06	SOEDEYVDCDYMMH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5281692
ChEMBL	CHEMBL170405
ChEBI	CHEBI:8876

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