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Brusatol

Brusatol structure

CAS No:
14907-98-3
Formula:
C26H32O11
Chemical Name:
Brusatol
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
Categories:
Biochemical Engineering > Plant Extracts

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Description

Brusatol, isolated from the Brucea javanica plant, inhibits Nrf2.

Brusatol is a triterpenoid.

Brusatol Basic Attributes

Molecular Weight：

520.52600

Exact Mass：

520.53

DSSTox ID：

DTXSID70164163

Characteristics

PSA：

165.89000

Density：

1.46g/cm3

Boiling Point：

724.3ºC at 760mmHg

Flash Point：

242.2ºC

Refractive Index：

1.609

Vapor Pressure：

3.18E-24mmHg at 25°C

Drug Information

MeSH Entry Terms：

brusatol

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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Guide of Brusatol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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