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Kuwanon C

Kuwanon C structure

CAS No:
62949-79-5
Formula:
C25H26O6
Chemical Name:
Kuwanon C
Synonyms:
4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-buten-1-yl)-;4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one;Kuwanon C;Mulberrin;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
Categories:
Natural Products > Flavonoids

Description

Mulberrin is a strong inhibitor of organic anion-transporting polypeptide 2B1 (OATP2B1)-mediated estrone-3-sulfate (E3S) uptake with an IC50 value being 1.8 ±1.5 μM.

Solid

Kuwanon C Basic Attributes

Molecular Weight：

422.477

Exact Mass：

422.47

DSSTox ID：

DTXSID20212148

Characteristics

PSA：

107

XLogP3：

6.2

Density：

1.3±0.1 g/cm3

Melting Point：

153-156 °C

Boiling Point：

657.7°C at 760 mmHg

Flash Point：

225.0±25.0 °C

Refractive Index：

1.642

Water Solubility：

0.007732 mg/L @ 25 °C (est)

Drug Information

MeSH：

Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

MeSH Entry Terms：

2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-buten-1-yl)-4H-chromen-4-one

Kuwanon C Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Computed Properties

Molecular Weight:422.5
XLogP3:6.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:422.17293854
Monoisotopic Mass:422.17293854
Topological Polar Surface Area:107
Heavy Atom Count:31
Complexity:758
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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KUWANONC

CAS No.: 62949-79-5

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Guide of Kuwanon C

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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