Chemical Components in the PDB

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DFV : Summary

Code

DFV

One-letter code

X

Molecule name

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

Synonyms

5-DEOXYFLAVANONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 (2S)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one

Formula

C15 H12 O4

Formal charge

0

Molecular weight

256.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3
SMILES CACTVS 3.341 Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O

IUPAC InChI

InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1

IUPAC InChI key

FURUXTVZLHCCNA-AWEZNQCLSA-N
DFV

wwPDB Information

Atom count

31 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-29

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned