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4-Allylcatechol

CAT: 0804-HY-N1887-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-N1887-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Allylcatechol (4-Allylpyrocatechol) is a xylan which has oral activity and can be isolated from the root of Piper taiwanense. 4-Allylcatechol has a strong inhibitory activity against collagen-induced platelet aggregation (IC50 = 5.3 μM) . In addition, 4-Allylcatechol has anti-tuberculosis activity against Mycobacterium tuberculosis H37Rv (MIC = 27.6 μg/mL) [1].
CAS Number
1126-61-0
Product Name Alternative
Hydroxychavicol; 4-Allylpyrocatechol
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Antibiotic; Bacterial; Interleukin Related; TNF Receptor
Type
Natural Products
Related Pathways
Anti-infection; Apoptosis; Immunology/Inflammation
Field of Research
Cancer; Infection; Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/4-Allylcatechol.html
Purity
98.60
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OC1=CC=C(CC=C)C=C1O
Molecular Formula
C9H10O2
Molecular Weight
150.17
Precautions
H315, H319
References & Citations
[1]Chen S, et al. Neolignans and phenylpropanoids from the roots of Piper taiwanense and their antiplatelet and antitubercular activities[J]. Phytochemistry, 2013, 93: 203-209.|[2]Ng PL, et al. Piper betle leaf extract enhances the cytotoxicity effect of 5-fluorouracil in inhibiting the growth of HT29 and HCT116 colon cancer cells. J Zhejiang Univ Sci B. 2014 Aug;15 (8) :692-700.|[3]Annavarapu T, et al. Anti-inflammatory and antioxidant activities of 4-allylpyrocatechol and its derivatives with molecular docking and ADMET investigations[J]. Bulletin of the karaganda university chemistry series, 2022, 1 (105) : 50-59.|[4]Pandey A, et al. Hydroxychavicol inhibits immune responses to mitigate cognitive dysfunction in rats. J Neuroimmunol. 2010 Sep 14;226 (1-2) :48-58.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hydroxychavicol

4-allylpyrocatechol has been reported in Dracaena cambodiana, Alpinia officinarum, and other organisms with data available.

CAS Number1126-61-0
PubChem CID70775
IUPAC Name4-prop-2-enylbenzene-1,2-diol
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP0.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C=CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2
InChIKey
FHEHIXJLCWUPCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxychavicol
CAS: 1126-61-0
CID: 70775
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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