Cas no 115063-39-3 (Desmethylxanthohumol)

Desmethylxanthohumol is a flavonoid derivative found in hops (Humulus lupulus) and a precursor to xanthohumol. It exhibits notable biological activity, including antioxidant, anti-inflammatory, and potential chemopreventive properties. Structurally similar to xanthohumol but lacking a methyl group, it demonstrates enhanced bioavailability and metabolic stability in certain contexts. Research suggests its role in modulating cellular pathways related to oxidative stress and inflammation, making it a subject of interest in pharmacological and nutraceutical studies. Its purity and stability are critical for reproducible experimental outcomes, and it is commonly used in analytical standards and biochemical research to investigate hop-derived bioactive compounds.
Desmethylxanthohumol structure
Desmethylxanthohumol structure
Product Name:Desmethylxanthohumol
CAS No:115063-39-3
MF:C20H20O5
MW:340.369806289673
CID:233863
PubChem ID:6443339
Update Time:2025-06-08

Desmethylxanthohumol Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-one,3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-,(2E)-
    • Desmethylxanthohumol
    • (E)-3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXY-3-(3-METHYLBUT-2-ENYL)PHENYL)PROP-2-EN-1-ONE
    • (E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
    • 2',4,4',6'-tetrahydroxy-3'-(3-methyl-2-butenyl)chalcone
    • 2',4',6',4-tetrahydrooxy-3-C-prenylchalcone
    • 2',4',6',4-tetrahydroxy-3-C-prenylchalcone
    • 2',4',6',4-tetrahydroxy-3'-prenylchalcone
    • Demethylxanthohumol
    • (2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
    • (E)-3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)prop-2-en-1-one
    • 8L48JN7T3E
    • MEGxp0_001775
    • BDBM50358099
    • 2-Propen-1-one,3-(4-hydroxyphenyl)-1-[2,4,6-trihydrox
    • HY-122966
    • 2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-
    • 115063-39-3
    • A936775
    • UNII-8L48JN7T3E
    • DTXSID901315295
    • AKOS040760367
    • 2,4,4',6-TETRAHYDROXY-3-(3,3-DIMETHYLALLYL)CHALCONE
    • CHEBI:80489
    • ACon1_001231
    • Q27149540
    • (2E)-3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-2-PROPEN-1-ONE
    • CS-0090765
    • 3-(4-Hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propen-1-one
    • CHEMBL466143
    • 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl)-, (2E)-
    • FS-7455
    • NCGC00169552-01
    • 2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-, (2E)-
    • DA-72688
    • G13275
    • Inchi: 1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
    • InChI Key: FUSADYLVRMROPL-UXBLZVDNSA-N
    • SMILES: OC1C(C(/C=C/C2C=CC(=CC=2)O)=O)=C(C=C(C=1C/C=C(\C)/C)O)O

Computed Properties

  • Exact Mass: 340.13100
  • Monoisotopic Mass: 340.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 5
  • Complexity: 500
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 98
  • Molecular Weight: 340.4

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.312
  • Boiling Point: 570.7°Cat760mmHg
  • Flash Point: 313°C
  • Refractive Index: 1.679
  • Solubility: 0.4077 mg/L @ 25 °C (est)
  • PSA: 97.99000
  • LogP: 3.91380

Desmethylxanthohumol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chengdu Biopurify Phytochemicals Ltd
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115063-39-3 98%
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Chengdu Biopurify Phytochemicals Ltd
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10mg
¥22090.00 2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.
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25mg
¥39762.00 2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.
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115063-39-3
50mg
¥59643.00 2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN1573-100 mg
Desmethylxanthohumol
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¥89464.00 2022-04-26
SHANG HAI TAO SHU Biotechnology Co., Ltd.
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Desmethylxanthohumol
115063-39-3
1mg
¥5151.00 2022-04-26
Ambeed
A1327470-1mg
(E)-3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)prop-2-en-1-one
115063-39-3 98%
1mg
$150.0 2025-03-05
Ambeed
A1327470-5mg
(E)-3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)prop-2-en-1-one
115063-39-3 98%
5mg
$521.0 2025-03-05

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