Magnolol

Magnolol
Compound Structure:
Synonyms: 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol; Magnolol; 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol; 5,5'-Diallyl-2,2'-biphenyldiol; 2,2'-Bichavicol; 5,5'-Diallyl-2,2'-dihydroxybiphenyl; Dehydrodichavicol; 4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol
Compound ID: NMPC-1223
PubChem ID:

72300
Molecular Formula: C18H18O2
Canonical SMILES: C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O
InChIKey: VVOAZFWZEDHOOU-UHFFFAOYSA-N
About the compound:

Magnolol is an organic compound that is classified as lignan. It is a bioactive compound found in the bark of the Houpu magnolia (Magnolia officinalis) or in M. grandiflora.[2] The compound exists at the level of a few percent in the bark of species of magnolia, the extracts of which have been used in traditional Chinese and Japanese medicine. In addition to magnolol, related lignans occur in the extracts including honokiol, which is an isomer of magnolol.

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H318 (62.86%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H319 (37.14%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H411 (62.86%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

266.3 g/mol

XLogP3-AA

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

5

Exact Mass

266.130679813 g/mol

Monoisotopic Mass

266.130679813 g/mol

Topological Polar Surface Area

40.5Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

293

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

White powder; Bitter aroma

Melting Point

101.5-102 °C

Solubility 

Slightly soluble in water; soluble in DMSO

Source: PubChem                        
Source Species: Pteris togoensis
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