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danshenol A

danshenol A structure

danshenol A 

structure
  • CAS No:

    189308-08-5

  • Formula:

    C21H20O4

  • Chemical Name:

    danshenol A

  • Synonyms:

    danshenol A;CHEMBL2261306;Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-;CTK0H6052;DTXSID20172334;BDBM50487908;ZINC13431682;(1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one;10-Acetonyl-10-hydroxy-1,6-dimethyl-1,2,10,11- tetrahydrophenanthro[1,2-b]furan-11-one

danshenol A Basic Attributes

336.3811

336.136

DTXSID20172334

Characteristics

63.6

3

IC
50
(μg/mL): 1.93 (HeLa), 2.22 (KB-3-1),3.97 (NCI-H460), 1.07 (PC3), 3.21(MCF-7), 0.63 (K562) (Wu et al. 2014)

Drug Information

danshenol A

Computed Properties

Molecular Weight:336.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:336.13615911
Monoisotopic Mass:336.13615911
Topological Polar Surface Area:63.6
Heavy Atom Count:25
Complexity:636
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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