Chemical Components in the PDB

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MLO : Summary

Code

MLO

One-letter code

X

Molecule name

5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol

Synonyms

magnolol

Systematic names

ProgramVersionName
ACDLabs 12.01 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
OpenEye OEToolkits 1.7.0 2-(2-hydroxy-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol

Formula

C18 H18 O2

Formal charge

0

Molecular weight

266.334 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc2ccc(cc2c1c(O)ccc(c1)C/C=C)C/C=C
SMILES CACTVS 3.370 Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O
SMILES OpenEye OEToolkits 1.7.0 C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O
Canonical SMILES CACTVS 3.370 Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O
Canonical SMILES OpenEye OEToolkits 1.7.0 C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O

IUPAC InChI

InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2

IUPAC InChI key

VVOAZFWZEDHOOU-UHFFFAOYSA-N
MLO

wwPDB Information

Atom count

38 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-23

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned