withanone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 17
Total Number of Articles : 11
PubChem 21679027
Molecular Formula

C28H38O6

SMILES

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)O)C

InChI

InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1

synonyms
  • withanone
  • 27570-38-3
  • NSC-179884
Click to show/hide the synonyms
Properties
Property Value
MW 470.6 g/mol
HBD 2
HBA 6
Rotatable Bond Count 2
Exact Mass 470.26683893 g/mol
Monoisotopic Mass 470.26683893 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1030
xlogp 3.1
Topological Polar Surface Area 96.4