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Home > Encyclopedia > 5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one 

structure
  • CAS No:

    740810-42-8

  • Formula:

    C23H24O6

  • Chemical Name:

    5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

  • Synonyms:

    9H-Xanthen-9-one,5-(1,1-dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-;9H-Xanthen-9-one,5-(1,1-dimethyl-2-propenyl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-butenyl)-;5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one;Cudratricusxanthone A

  • Categories:

    Natural Products  >  Xanthones

Description

Cudratricusxanthone A is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2, 3, 6 and 8, an isoprenyl group at position 1 and a 2-methylbut-3-en-2-yl group at position 5. It is isolated from the root barks of Cudrania tricuspidata and exhibits cytotoxicity towards human cancer cell lines. It has a role as a metabolite, an antineoplastic agent, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and an anti-inflammatory agent. It is a member of xanthones and a polyphenol.

5-(1,1-Dimethyl-2-propen-1-yl)-2,3,6,8-tetrahydroxy-1-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one Basic Attributes

396.43306

396.43

Characteristics

111.13000

4.76

1.3±0.1 g/cm3

145 °C @ Solvent: Chloroform

626.3±55.0 °C at 760 mmHg

218.0±25.0 °C

1.644

Drug Information

CTXA cpd

Computed Properties

Molecular Weight:396.4
XLogP3:6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:396.15728848
Monoisotopic Mass:396.15728848
Topological Polar Surface Area:107
Heavy Atom Count:29
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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