Chemical Components in the PDB

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STL : Summary

Code

STL

One-letter code

X

Molecule name

RESVERATROL

Systematic names

ProgramVersionName
ACDLabs 10.04 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
OpenEye OEToolkits 1.5.0 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

Formula

C14 H12 O3

Formal charge

0

Molecular weight

228.243 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
SMILES CACTVS 3.341 Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

IUPAC InChI

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

IUPAC InChI key

LUKBXSAWLPMMSZ-OWOJBTEDSA-N
STL

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned