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Basic information
- CAS
35354-74-6- Standard SMILES
C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1- InChIKey
FVYXIJYOAGAUQK-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- Honokiol
- IUPAC
- 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
- English name
- Honokiol
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33
Names & synonyms
Honokiol35354-74-63,5'-Diallyl-4,2'-dihydroxybiphenylPurinol4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenolDTXSID3018884511513CCO0NFMLT BSASM HNSC-293100(1,1'-BIPHENYL)-2,4'-DIOL, 3',5-DI-2-PROPEN-1-YL-RefChem:788486
Show more names
PiclidenosonMagnolia officinalis extracthnkMagnolia officinalis oilHonokiol D101’-Biphenyl]-2,4’-diol,3’,5-di-2-propenyl-[1houpaHonokiol>
DTXCID90111336609-119-85,3'-Diallyl-2,4'-dihydroxybiphenylNSC 2931003',5-Di-2-propen-1-yl[1,1'-biphenyl]-2,4'-diol3',5-diallyl-2,4'-biphenyldiolMFCD000166743',5-Diallylbiphenyl-2,4'-diol
Database identifiers
- CAS
35354-74-6- PubChem CID
- 72303
- DTXSID
DTXSID30188845- ChEMBL
CHEMBL16901- ChEBI
CHEBI:5759- UNII
- 11513CCO0N
- EC Number
- 609-119-8
- Nikkaji
- J138.358B
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 86 ℃ · 86℃
- Boiling point
- 400.1 · 400.1±40.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 36 mg/mL · DMSO: 36 mg/mL
- form
- powder
- pka
- 9.89 · 9.89±0.48(Predicted)
- color
- White to Off-White
- Merck
- 14 · 14,4742
- Stability
- Light Sensitive
- Major Application
- food and beverages
- Cosmetics Ingredients Functions
- BLEACHINGANTIOXIDANTSKIN CONDITIONING
- InChI
- InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
- InChIKey
- FVYXIJYOAGAUQK-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(O)C(CC=C)=C2)=CC(CC=C)=CC=C1O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (27.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (27.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (47.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (52.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (27.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (36.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 101 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationHonokiol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (27.7%)；Skin Irrit. 2 (27.7%)；Eye Dam. 1 (47.5%)；Eye Irrit. 2 (52.5%)；STOT SE 3 (27.7%)；Aquatic Chronic 2 (36.6%)
Regulatory information
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Drugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033)
Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
A very loosely defined group of drugs that tend to reduce the activity of the central nervous system. The major groups included here are ethyl alcohol, anesthetics, hypnotics and sedatives, narcotics, and tranquilizing agents (antipsychotics and antianxiety agents).
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
DescriptionMagnolol is derived from the root bark and branch bark of magnolia or Magnolia officinalis. Magnolia officinalis was first written in the《ben jing》, it prefers cool and humid climate and well-drained acid soil. Cortex magnoliae officinalis (hou po) is mainly produced in Sichuan (Wan quan, Shizhu, Guanxian), Hubei (Shien,Yichang, Lichuan), Zhejiang (Longquan, Anhui), and other places. It is also distributed in Fujian, Jiangxi, Hunan, Guangxi, Yunnan, Guizhou, Shanxi, Gansu, and other places. Cortex magnoliae officinalis from Sichuan and Hubei is called “chuan pu,” with better quality, while in Zhejiang, it is called “warm park,” with a larger output.
HistoryIn 1930, magnolol was first isolated from the bark of Cortex magnoliae officinalis in China by Japanese Sugii, and it was also isolated from Cortex magnoliae officinalis in Japan. In 1973, magnolol and its isomers honokiol were isolated from Cortex magnoliae officinalis in China and Japan by Japanese Fujita. The drug research and development of magnolol and honokiol remain in pharmacological activity and preclinical research. Kyung Hee University from Korea declared a preclinical study in 2003, in which allergy, anxiety, angina, and heart failure are indications for honokiol.
Related reactions
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Compound notes
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