Chemical Components in the PDB

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FLN : Summary

Code

FLN

One-letter code

X

Molecule name

2-PHENYL-4H-CHROMEN-4-ONE

Synonyms

FLAVONE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-phenyl-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 2-phenylchromen-4-one

Formula

C15 H10 O2

Formal charge

0

Molecular weight

222.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(OC(=C1)c2ccccc2)cccc3
SMILES CACTVS 3.341 O=C1C=C(Oc2ccccc12)c3ccccc3
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Canonical SMILES CACTVS 3.341 O=C1C=C(Oc2ccccc12)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C2=CC(=O)c3ccccc3O2

IUPAC InChI

InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

IUPAC InChI key

VHBFFQKBGNRLFZ-UHFFFAOYSA-N
FLN

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-02-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned