1V3

6-chloro-2-phenyl-4H-chromen-4-one

Created:	2013-06-14
Last modified:	2013-10-30

Find Related PDB Entry
1 entries where 1V3 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of 1V3

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-chloro-2-phenyl-4H-chromen-4-one
Systematic Name (OpenEye OEToolkits)	6-chloranyl-2-phenyl-chromen-4-one
Formula	C₁₅ H₉ Cl O₂
Molecular Weight	256.684
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2ccc1OC(=CC(=O)c1c2)c3ccccc3
SMILES	CACTVS	3.370	Clc1ccc2OC(=CC(=O)c2c1)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl
Canonical SMILES	CACTVS	3.370	Clc1ccc2OC(=CC(=O)c2c1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl
InChI	InChI	1.03	InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKey	InChI	1.03	IFNDLWHUYFSXBK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL293478
PubChem	248021
ChEMBL	CHEMBL293478

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.