3'-Hydroxymirificin , CAS No.168035-02-7

CAS: 168035-02-7 Cat. No.: H651243 Molecular Weight: 564.49 PubChem CID: 145874175

Storage

Store at -20°C

Shipped In

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Overview

3'-Hydroxymirificin (compound 3) is a naural compound that can be isolated from Pueraria lobata roots. 3'-Hydroxymirificin (compound 3) possesses estrogenic activity and anti-proliferation of MCF-7 human breast carcinoma cells.

Specifications

Biochemical and Physiological Mechanisms

3'-Hydroxymirificin (compound 3) is a naural compound that can be isolated from Pueraria lobata roots. 3'-Hydroxymirificin (compound 3) possesses estrogenic activity and anti-proliferation of MCF-7 human breast carcinoma cells.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1C(C(C(O1)OCC2C(C(C(C(O2)C3=C(C=CC4=C3OC=C(C4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)(CO)O
• IUPAC Name: 8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
• InChIKey: UXSOWCXXXQKAGC-QOIVFALESA-N
• INCHI: 1S/C26H28O14/c27-8-26(36)9-39-25(24(26)35)38-7-16-19(32)20(33)21(34)23(40-16)17-14(29)4-2-11-18(31)12(6-37-22(11)17)10-1-3-13(28)15(30)5-10/h1-6,16,19-21,23-25,27-30,32-36H,7-9H2/t16-,19-,20+,21-,23+,24+,25-,26-/m1/s1
• PubChem CID: 145874175
• Molecular Weight: 564.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Isoflavonoids
      • Subclass Isoflavonoid C-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Isoflavonoids
• Subclass: Isoflavonoid C-glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflavonoid C-glycosides
• Alternative Parents: Isoflavones Hydroxyisoflavonoids Chromones Glycerolipids Dihydropyranones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Enones Acryloyl compounds Secondary alcohols Ketones Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflavonoid-8-c-glycoside - Isoflavonoid c-glycoside - Hydroxyisoflavonoid - Isoflavone - Chromone - 1-benzopyran - Benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Glycerolipid - Pyranone - Phenol - Dihydropyranone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Oxane - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Tertiary alcohol - Enone - Acryloyl-group - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y