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Basic Description
| Synonyms | Dehydrodiisoeugenol | s9098 | DEHRODIISOEUGENOL | NSC 16743 | Q-100937 | 4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol | Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl)-2-methoxy- | 2 |
|---|---|
| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | Dehydrodiisoeugenol, a naturally occurring lignan from Aristolochia taliscana (Aristolochiaceae), acts as a potent anti-inflammatory agent and shows various pharmacological activities, including anti-lipid peroxidation, anti-bacteial function, and hepatic |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Information Dehydrodiisoeugenol, a naturally occurring lignan from Aristolochia taliscana (Aristolochiaceae), acts as a potent anti-inflammatory agent and shows various pharmacological activities, including anti-lipid peroxidation, anti-bacteial function, and hepatic drug metabolism enzyme inhibition. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | 2-arylbenzofuran flavonoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-arylbenzofuran flavonoids |
| Alternative Parents | Lignans, neolignans and related compounds Methoxyphenols Coumarans Benzofurans Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-arylbenzofuran flavonoid - Neolignan skeleton - Methoxyphenol - Coumaran - Benzofuran - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. |
| External Descriptors | benzofurans |
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Product Properties
| ALogP | 4.499 |
|---|---|
| hba_count | 3 |
| HBD Count | 1 |
| Rotatable Bond | 4 |
Associated Targets(non-human)
Schistosoma mansoni (6170 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504763803 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763803 |
| IUPAC Name | 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol |
| INCHI | InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+ |
| InChIKey | ITDOFWOJEDZPCF-AATRIKPKSA-N |
| Smiles | CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
| Isomeric SMILES | C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
| Molecular Weight | 326.39 |
| Reaxy-Rn | 302887 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=302887&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2229070 |
Certificate of Analysis | Oct 09, 2022 | D414335 |
| K2229066 |
Certificate of Analysis | Oct 09, 2022 | D414335 |
| K2229069 |
Certificate of Analysis | Oct 09, 2022 | D414335 |
Chemical and Physical Properties
| Solubility | Solubility (25°C) In vitro DMSO: 65 mg/mL (199.14 mM); Ethanol: 22 mg/mL (67.4 mM); Water: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 65 |
| DMSO(mM) Max Solubility | 199.150528018518 |
| Molecular Weight | 326.400 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 326.152 Da |
| Monoisotopic Mass | 326.152 Da |
| Topological Polar Surface Area | 47.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 437.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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DehydrodiisoeugenolStarting at $241.90
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