6BK

2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

Created:	2016-03-02
Last modified:	2016-06-29

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1 entries where 6BK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 6BK

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Chemical Component Summary
Name	2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-chromen-4-one
Formula	C₁₅ H₁₀ O₅
Molecular Weight	270.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1cc(ccc1O)C2=CC(=O)c3c(O2)cccc3O
SMILES	CACTVS	3.385	Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2
SMILES	OpenEye OEToolkits	2.0.4	c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O
InChI	InChI	1.03	InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H
InChIKey	InChI	1.03	KXPQYWKYYDYOCQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	88281
ChEMBL	CHEMBL243677

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