Xanthohumol D
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Xanthohumol D
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CAS No:
274675-25-1
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Formula:
C21H22O6
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Chemical Name:
Xanthohumol D
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Synonyms:
2-Propen-1-one,1-[2,4-dihydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)-,(2E)-;2-Propen-1-one,1-[2,4-dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)-,(2E)-;1-[2,4-Dihydroxy-3-(2-hydroxy-3-methyl-3-buten-1-yl)-6-methoxyphenyl]-3-(4 hydroxyphenyl)-2-propen-1-one;Xanthohumol D;1-[2,4-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-6-methoxyphenyl]-3-(4 hydroxyphenyl)-2-propen-1-one
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CAS No:
Description
Xanthohumol D 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 2-hydroxy-3-methylbut-3-en-1-yl group at position 3'. It has been isolated as a racemate from Humulus lupulus and has been shown to exhibit inhibitory activity against NO production. It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of chalcones, a polyphenol, an aromatic ether and a secondary alcohol.
Xanthohumol D Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Computed Properties
Molecular Weight:370.4
XLogP3:4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:370.14163842
Monoisotopic Mass:370.14163842
Topological Polar Surface Area:107
Heavy Atom Count:27
Complexity:537
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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