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· · COA & SDS available for every product · Same-day shipping on in-stock items Scandenin , CAS No.5084-00-4
Synonyms
Scandenin | KBio1_001385 | Spectrum_000746 | SpecPlus_000345 | Spectrum2_001906 | Spectrum3_001312 | Spectrum4_001469 | Spectrum5_000117 | BSPBio_003003 | KBioGR_002017 | KBioSS_001226 | SPECTRUM300348 | DivK1c_006441 | SPBio_001872 | CHEBI:93435 | KBio2_
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Scandenin | KBio1_001385 | Spectrum_000746 | SpecPlus_000345 | Spectrum2_001906 | Spectrum3_001312 | Spectrum4_001469 | Spectrum5_000117 | BSPBio_003003 | KBioGR_002017 | KBioSS_001226 | SPECTRUM300348 | DivK1c_006441 | SPBio_001872 | CHEBI:93435 | KBio2_
Product Properties Names and Identifiers Canonical Smiles CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C IUPAC Name 4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-2-one InChIKey AAKJUGSASOCUFQ-UHFFFAOYSA-N INCHI 1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3 Isomeric SMILES CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C Molecular Weight 434.5 Reaxy-Rn 367822 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=367822&ln=
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 Pyranoisoflavonoids Intermediate Tree Nodes Not available Direct Parent Pyranoisoflavonoids Alternative Parents Hydroxyisoflavonoids Isoflav-3-enones Angular pyranocoumarins Pyranochromenes 2,2-dimethyl-1-benzopyrans Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Vinylogous acids Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyranoisoflavonoid - Isoflav-3-enone skeleton - Hydroxyisoflavonoid - Pyranocoumarin - Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Coumarin - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton. External Descriptors Other Flavonoids 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 434.500 g/mol XLogP3 5.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 434.173 Da Monoisotopic Mass 434.173 Da Topological Polar Surface Area 85.200 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 812.000 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
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