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· · COA & SDS available for every product · Same-day shipping on in-stock items Prunetin - Moligand™, ≥98% , Inhibitor of aldehyde dehydrogenase 2 family member, CAS No.552-59-0, Inhibitor of aldehyde dehydrogenase 2 family member
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one | SCHEMBL73420 | Oprea1_083784 | Prunetin | Prunetin, >=98.0% (TLC) | 4',5-dihydroxy-7-methoxyisoflavone | PRUNETIN [MI] | BCP09998 | BIDD:ER0153 | KBio2_006643 | BDBM50359990 | CHEBI:8600 | GTPL691
Storage
Room temperature,Desiccated
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one | SCHEMBL73420 | Oprea1_083784 | Prunetin | Prunetin, >=98.0% (TLC) | 4', 5-dihydroxy-7-methoxyisoflavone | PRUNETIN [MI] | BCP09998 | BIDD:ER0153 | KBio2_006643 | BDBM50359990 | CHEBI:8600 | GTPL691
Specifications & Purity
Moligand™, ≥98%
Storage
Room temperature, Desiccated
Mechanism of action
Inhibitor of aldehyde dehydrogenase 2 family member
Names and Identifiers Canonical Smiles COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O IUPAC Name 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one InChIKey KQMVAGISDHMXJJ-UHFFFAOYSA-N INCHI 1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 Isomeric SMILES COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O PubChem CID 5281804 Molecular Weight 284.26
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Isoflavonoids Subclass O-methylated isoflavonoids Intermediate Tree Nodes 7-O-methylated isoflavonoids Direct Parent 7-O-methylisoflavones Alternative Parents Isoflavones Hydroxyisoflavonoids Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 7-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. External Descriptors a small molecule Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 284.260 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 284.068 Da Monoisotopic Mass 284.068 Da Topological Polar Surface Area 76.000 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 424.000 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
Citations of This Product References 1. Jing Wu, Jiali Chen, Xijing Yu, Yujuan You. (2023) The potential pharmacological mechanism of prunetin against osteoporosis: transcriptome analysis, molecular docking, and experimental approaches. TOXICOLOGY MECHANISMS AND METHODS, [PMID:37642288 ] [10.1080/15376516.2023.2253305 ]
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