Brusatol
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Brusatol
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CAS No:
14907-98-3
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Formula:
C26H32O11
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Chemical Name:
Brusatol
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Synonyms:
Picras-3-en-21-oic acid,13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-,methyl ester,(11β,12α,15β)-;2H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-3α(3aβH)-carboxylic acid,1,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-,methyl ester,4-(3-methylcrotonate);Picras-3-en-21-oic acid,13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxo-,methyl ester,(11β,12α,15β)-;Crotonic acid,3-methyl-,4-ester with methyl 1,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-2H-3,11cβ-(epoxymethano)phenanthro[10,1-bc]pyran-3α(3aβH)-carboxylate;Brusatol;Yatansin;(+)-Brusatol;NSC 172924;11027-43-3
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CAS No:
Description
Brusatol, isolated from the Brucea javanica plant, inhibits Nrf2.
Brusatol is a triterpenoid.
Computed Properties
Molecular Weight:520.5
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:520.19446183
Monoisotopic Mass:520.19446183
Topological Polar Surface Area:166
Heavy Atom Count:37
Complexity:1150
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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