Chemical Components in the PDB

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4EV : Summary

Code

4EV

One-letter code

X

Molecule name

(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 (2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
OpenEye OEToolkits 1.9.2 [2,4-bis(oxidanyl)phenyl]-(3-hydroxyphenyl)methanone

Formula

C13 H10 O4

Formal charge

0

Molecular weight

230.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccc(cc1O)O)c2cccc(c2)O
SMILES CACTVS 3.385 Oc1ccc(c(O)c1)C(=O)c2cccc(O)c2
SMILES OpenEye OEToolkits 1.9.2 c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O
Canonical SMILES CACTVS 3.385 Oc1ccc(c(O)c1)C(=O)c2cccc(O)c2
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O

IUPAC InChI

InChI=1S/C13H10O4/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,14-16H

IUPAC InChI key

NBKYIYGREQXQJY-UHFFFAOYSA-N
4EV

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

2015-03-11

Last modified at

2016-03-04

Status

Released

Obsoleted

Not Assigned