A1LWJ

(3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one

Created:	2024-01-16
Last modified:	2025-01-15

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1 entries where A1LWJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	17

2D diagram of A1LWJ

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Chemical Component Summary
Name	(3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one
Systematic Name (OpenEye OEToolkits)	(3~{R})-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one
Formula	C₁₉ H₁₄ O₂
Molecular Weight	274.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2CC(=O)c3c4ccccc4ccc3O2
Canonical SMILES	CACTVS	3.385	O=C1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2
InChI	InChI	1.06	InChI=1S/C19H14O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-11,18H,12H2/t18-/m1/s1
InChIKey	InChI	1.06	XTWSWGKXWMYSLP-GOSISDBHSA-N

Related Resource References

Resource Name	Reference
PubChem	92178809

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.