A1L1Z

Herbacetin

Created:	2024-05-23
Last modified:	2025-05-28

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1 entries where A1L1Z 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 A1L1Z

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Chemical Component Summary
Name	Herbacetin
Synonyms	2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one
Systematic Name (OpenEye OEToolkits)	2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one
Formula	C₁₅ H₁₀ O₇
Molecular Weight	302.236
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c(O)c3O2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2=C(C(=O)c3c(cc(c(c3O2)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c(O)c3O2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2=C(C(=O)c3c(cc(c(c3O2)O)O)O)O)O
InChI	InChI	1.06	InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
InChIKey	InChI	1.06	ZDOTZEDNGNPOEW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5280544
ChEMBL	CHEMBL611029
ChEBI	CHEBI:27673

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.