Determine the necessary mass, volume, or concentration for preparing a solution.
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Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Pedalitin is a inhibitor of tyrosinase（IC50=0.28 mM） and α-glucosidase（IC50=0.29 mM）.
Specifications
Specifications & Purity
Moligand™, ≥98%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
| Canonical Smiles | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
|---|---|
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one |
| InChIKey | QWUHUBDKQQPMQG-UHFFFAOYSA-N |
| INCHI | 1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 |
| Isomeric SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
| Alternate CAS | 22384-63-0 |
| MeSH Entry Terms | pedalitin |
| Molecular Weight | 316.26 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
- Class Flavonoids
- Subclass O-methylated flavonoids
- Class Flavonoids
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | O-methylated flavonoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-O-methylated flavonoids |
| Alternative Parents | 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids Flavones Chromones Anisoles Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 7-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 6-hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Anisole - Catechol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. |
| External Descriptors | Flavones and Flavonols |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
AKR1B1 Tclin Aldose reductase (1404 Activities)
HeLa S3 (477 Activities)
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Associated Targets(non-human)
GAA Alpha-glucosidase (25 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Staphylococcus aureus (210822 Activities)
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Phytophthora infestans (820 Activities)
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Rhizomucor miehei (120 Activities)
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Penicillium chrysogenum (1593 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
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Mus musculus (284745 Activities)
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Paecilomyces variotii (130 Activities)
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Avian myoblastosis virus polyprotein II (68 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Moisture sensitive； Light sensitive |
|---|---|
| Molecular Weight | 316.260 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 316.058 Da |
| Monoisotopic Mass | 316.058 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 491.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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