Chemical Components in the PDB

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DFL : Summary

Code

DFL

One-letter code

X

Molecule name

2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE

Synonyms

4'-HYDROXYFLAVANONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 (2S)-2-(4-hydroxyphenyl)chroman-4-one

Formula

C15 H12 O3

Formal charge

0

Molecular weight

240.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c3c(OC(c1ccc(O)cc1)C2)cccc3
SMILES CACTVS 3.341 Oc1ccc(cc1)[CH]2CC(=O)c3ccccc3O2
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)CC(O2)c3ccc(cc3)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)[C@@H]2CC(=O)c3ccccc3O2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O

IUPAC InChI

InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1

IUPAC InChI key

ZLHVIYHWWQYJID-HNNXBMFYSA-N
DFL

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-06-28

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned