Chemical Components in the PDB

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VEX : Summary

Code

VEX

One-letter code

X

Molecule name

(2,3,4-trimethoxyphenyl)methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2,3,4-trimethoxyphenyl)methanol
OpenEye OEToolkits 2.0.7 (2,3,4-trimethoxyphenyl)methanol

Formula

C10 H14 O4

Formal charge

0

Molecular weight

198.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1c(OC)c(ccc1OC)CO
SMILES CACTVS 3.385 COc1ccc(CO)c(OC)c1OC
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(c(c1OC)OC)CO
Canonical SMILES CACTVS 3.385 COc1ccc(CO)c(OC)c1OC
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(c(c1OC)OC)CO

IUPAC InChI

InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

IUPAC InChI key

DGJVVEVPKPOLEV-UHFFFAOYSA-N
VEX

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned