CAS 6754-58-1 — 0 EU Cosmetic Records

Chemical identity and properties

PubChem 2D chemical structure for CAS 6754-58-1

CAS 6754-58-1PubChem CID 639665

Xanthohumol

Xanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. It has a role as an antiviral agent, a metabolite, an antineoplastic agent, an EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor, an anti-HIV-1 agent and an apoptosis inducer. It is a member of chalcones, a polyphenol and an aromatic ether. It is a conjugate acid of a xanthohumol(1-). — ChEBI

IUPAC name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Molecular formula: C21H22O5
Molecular weight: 354.4 g/mol
Exact mass: 354.14672380 Da
XLogP3: 5.1
Topological polar surface area: 87.0 Å²
Hydrogen-bond donors: 3
Hydrogen-bond acceptors: 5
Covalent units: 1
Defined stereocentres: 0

Also known as

Xantho-flavT4467YT1NT(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-oneCHEBI:663311-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one2-Propen-1-one, 1-(2,4-hydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-, (E)-(2E)-1-(2,4-DIHYDROXY-6-METHOXY-3-(3-METHYL-2-BUTEN-1-YL)PHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE(E)-1-(2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

16 more reported names

XanthoFlav(2E)-1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneRefChem:1951313'-(3,3-Dimethyl allyl)-2',4',4-trihydroxy-6'-methoxychalcone614-078-4(E/Z)-Xanthohumol1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone(E)-1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-oneXanthohumol, primary pharmaceutical reference standardUNII-T4467YT1NTXanthohumol?(E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one1-[2,4-DIHYDROXY-6-METHOXY-3-(3-METHYLBUT-2-EN-1-YL)PHENYL]-3-(4-HYDROXYPHENYL)PROP-2-EN-1-ONEXanthohumol [M+H]+Xanthohumol (Standard)

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External database identifiers

ChEBI:CHEBI:66331
ChEBI:CHEBI:94745
ChEMBL:CHEMBL253896
EPA DTXSID:DTXSID00893171
PubMed:15550272
PubMed:14670594

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

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