Hesperetin - ≥95% , CAS No.69097-99-0

CAS: 69097-99-0 Cat. No.: H334788 Summenformel: C₁₆H₁₄O₆ Molekulargewicht: 302.28 EG-Nummer: 639-186-9

GRADE & PURITY ≥95%

Synonyms

5,3'-Trihydroxy-4'-methoxyflavanone | HY-N0168A | NCI60_014043 | 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone | ACon1_002327 | NSC57654 | NSC-641520 | (Rac)-Hesperetin | NCGC00095618-01 | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation.

Specifications

Synonyme

5,3'-Trihydroxy-4'-methoxyflavanone | HY-N0168A | NCI60_014043 | 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone | ACon1_002327 | NSC57654 | NSC-641520 | (Rac)-Hesperetin | NCGC00095618-01 | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ACTIVATOR

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504750688

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750688

Kanonisches Lächeln

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O

IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

InChIKey

AIONOLUJZLIMTK-UHFFFAOYSA-N

INCHI

1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3

Isomere SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O

Molekulargewicht

302.28

Reaxy-Rn

309850

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=309850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 4'-O-methylated flavonoids
• Alternative Parents: 3'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanones Chromones Methoxyphenols Methoxybenzenes Aryl alkyl ketones Anisoles Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - Flavanone - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 3'-hydroxyflavonoid - Flavan - Chromone - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Methoxybenzene - Phenoxy compound - Aryl alkyl ketone - Anisole - Phenol ether - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.
• 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

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CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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KM-20L2 (14967 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Trypanosoma brucei (78846 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Plasmodium berghei (192651 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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FTL Ferritin light chain (43324 Activities)

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Methionyl-tRNA synthetase, putative (498 Activities)

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Lysine--tRNA ligase (69390 Activities)

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pks13 Polyketide synthase Pks13 (67344 Activities)

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Wolbachia pipientis (48835 Activities)

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trpS Tryptophan--tRNA ligase (65646 Activities)

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Histidine--tRNA ligase (68896 Activities)

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coaBC Coenzyme A biosynthesis bifunctional protein CoaBC (68296 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Ethanol: 50 mg/ml
• Schmelzpunkt (°C): 227-232° C
• Molekulargewicht: 302.280 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 302.079 Da
• Monoisotopic Mass: 302.079 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 413.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 69097-99-0, the molecular formula is C16H14O6, and the molecular weight is 302.28 g/mol. InChIKey AIONOLUJZLIMTK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.