Chemical Components in the PDB

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O9Z : Summary

Code

O9Z

One-letter code

X

Molecule name

2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

Formula

C15 H9 F O4

Formal charge

0

Molecular weight

272.228 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F
Canonical SMILES CACTVS 3.385 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F

IUPAC InChI

InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H

IUPAC InChI key

XSYORHATJHJUAA-UHFFFAOYSA-N
O9Z

wwPDB Information

Atom count

29 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-02-25

Last modified at

2020-08-14

Status

Released

Obsoleted

Not Assigned