A1L8X

3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one

Created:	2025-04-02
Last modified:	2025-04-16

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1 entries where A1L8X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of A1L8X

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Chemical Component Summary
Name	3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
Systematic Name (OpenEye OEToolkits)	3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula	C₁₇ H₁₄ O₇
Molecular Weight	330.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3O2
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3O2
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)OC
InChI	InChI	1.06	InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
InChIKey	InChI	1.06	ZSPZNFOLWQEVQJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5380905
ChEMBL	CHEMBL309263
ChEBI	CHEBI:70008

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.