A1LYU

4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one

Created:	2024-03-05
Last modified:	2024-05-22

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1 entries where A1LYU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	51
Aromatic Bond Count	22

2D diagram of A1LYU

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Chemical Component Summary
Name	4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
Systematic Name (OpenEye OEToolkits)	4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
Formula	C₂₅ H₁₈ O₄
Molecular Weight	382.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23
SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)Oc2c1ccc3c2c(c(o3)C(c4ccccc4)O)c5ccccc5
Canonical SMILES	CACTVS	3.385	CC1=CC(=O)Oc2c1ccc3oc([C@@H](O)c4ccccc4)c(c5ccccc5)c23
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)Oc2c1ccc3c2c(c(o3)[C@H](c4ccccc4)O)c5ccccc5
InChI	InChI	1.06	InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1
InChIKey	InChI	1.06	YVAAPHRLEUACEA-QHCPKHFHSA-N

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.