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ScientificNameLabel
Sanggenon J
PHCD compound ID : 2208
Chemical Names :
Sanggenon J
Molecular Formula : C30H34O6
Molecular Weight : 490.235539
More Details :
Names & Synonyms:
Smiles: CC(=CCC[C@]1(C)C=Cc2c(O1)ccc(c2O)[C@@H]1Oc2cc(O)cc(c2C(=O)[C@H]1CC=C(C)C)O)C
InChi : InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-24(36-30)11-10-21(27(20)33)29-22(9-8-18(3)4)28(34)26-23(32)15-19(31)16-25(26)35-29/h7-8,10-12,14-16,22,29,31-33H,6,9,13H2,1-5H3/t22-,29+,30-/m1/s1
InChi Key : InChIKey=VOEQGJYRBHMRSH-ZDERHKTGSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 6 Ionization potential : 8.982346
Hydrogen bond donor count : 3 Electric dipole moment : 6.212
XLogP : 5.241 VDW volume : 482.586936
Molecular weight : 490.235539 HOMO-LUMO gap : 8.400000
Herb list :
Refrences & Litretures:
  
259.      Journal:'Fitoterapia'      Year:'2010'      Volume:'81'      Page:'1224'      DOI:'10.1016/j. tote.2010.08.006'      Title:'Cytotoxic prenylated ?avonoids from Morus alba'
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