for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Iristectorigenin B (Iristectrigenin B) is a liver X receptor ( LXR ) modulator. Iristectrigenin B stimulates the transcriptional activity of both LXR-α and LXR-β.
Form:Solid
| Sonrisas canónicas | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O |
|---|---|
| IUPAC Name | 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one |
| InChIKey | WRZOUWHPDDOJNR-UHFFFAOYSA-N |
| INCHI | 1S/C17H14O7/c1-22-12-4-3-8(5-10(12)18)9-7-24-13-6-11(19)17(23-2)16(21)14(13)15(9)20/h3-7,18-19,21H,1-2H3 |
| Isómeros SMILES | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O |
| CAS alternativo | 86849-77-6,37744-62-0 |
| PubChem CID | 5488781 |
| Peso molecular | 330.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Isoflavonoids |
| Subclass | O-methylated isoflavonoids |
| Intermediate Tree Nodes | 4'-O-methylated isoflavonoids |
| Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
| Alternative Parents | 4'-O-methylisoflavones Hydroxyisoflavonoids Isoflavones Chromones Methoxyphenols Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3'-hydroxy,4'-methoxyisoflavonoid - 4p-o-methylisoflavone - Isoflavone - Hydroxyisoflavonoid - Chromone - Methoxyphenol - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone. |
| External Descriptors | Isoflavonoids |
| Peso molecular | 330.290 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 330.074 Da |
| Monoisotopic Mass | 330.074 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| 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 |
