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ScientificNameLabel
Dipsaicin
PHCD compound ID : 5704
Chemical Names :
Dipsaicin
Molecular Formula : C14H18O9
Molecular Weight : 330.095082
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](OCc2cc(O)ccc2C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C14H18O9/c15-4-9-10(17)11(18)12(19)14(23-9)22-5-6-3-7(16)1-2-8(6)13(20)21/h1-3,9-12,14-19H,4-5H2,(H,20,21)/t9-,10-,11+,12-,14-/m1/s1
InChi Key : InChIKey=ZKKNABJGMLHVHS-YGEZULPYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 9.929260
Hydrogen bond donor count : 6 Electric dipole moment : 6.017
XLogP : -1.696 VDW volume : 283.653532
Molecular weight : 330.095082 HOMO-LUMO gap : 9.111000
Herb list :
Refrences & Litretures:
  
968.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2011'      Volume:'8'      Page:'414'      DOI:'10.1002/cbdv.201000022'      Title:'Phytochemicals and Biological Activities of Dipsacus Species'
969.      Journal:'Phytochemistry'      Year:'1991'      Volume:'30'      Page:'2805'      DOI:'10.1016/0031-9422(91)85153-Q'      Title:'PHENOLIC GLUCOSIDE AND OTHER CONSTITUENTS OF DIPSACUS LACINIATUS'
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