(+)-3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
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(+)-3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
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CAS No:
874303-34-1
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Formula:
C25H26O7
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Chemical Name:
(+)-3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
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Synonyms:
4H-1-Benzopyran-4-one,3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-,(+)-;4H-1-Benzopyran-4-one,3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-6-(3-methyl-2-butenyl)-,(+)-;(+)-3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one;Millewanin H
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CAS No:
Description
ChEBI: A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4', a prenyl group at position 6 and a 2-hydroxy-3-methylbut-3-enyl moiety at position 8. Isolated from the leaves of Millettia pachycarpa, it exhib ts antiestrogenic activity.
Millewanin H is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4', a prenyl group at position 6 and a 2-hydroxy-3-methylbut-3-enyl moiety at position 8. Isolated from the leaves of Millettia pachycarpa, it exhibits antiestrogenic activity. It has a role as a metabolite and an anti-estrogen. It is a hydroxyisoflavone and a secondary alcohol.
(+)-3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one Basic Attributes
438.46974
438.47
Computed Properties
Molecular Weight:438.5
XLogP3:5.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:438.16785316
Monoisotopic Mass:438.16785316
Topological Polar Surface Area:127
Heavy Atom Count:32
Complexity:768
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(+)-3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-buten-1-yl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
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