Skip Navigation Links
ScientificNameLabel
11-Oxomarrubiin
PHCD compound ID : 5476
Chemical Names :
11-Oxomarrubiin
Molecular Formula : C20H26O5
Molecular Weight : 346.178024
More Details :
Names & Synonyms:
Smiles: C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@]([C@@]1(O)C(=O)Cc1cocc1)(C)CCC3)C
InChi : InChI=1S/C20H26O5/c1-12-9-14-16-18(2,17(22)25-14)6-4-7-19(16,3)20(12,23)15(21)10-13-5-8-24-11-13/h5,8,11-12,14,16,23H,4,6-7,9-10H2,1-3H3/t12-,14-,16+,18+,19+,20+/m1/s1
InChi Key : InChIKey=UFYDESYKYFQGFE-BICNQZBYSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.492161
Hydrogen bond donor count : 1 Electric dipole moment : 5.065
XLogP : 1.605 VDW volume : 327.555615
Molecular weight : 346.178024 HOMO-LUMO gap : 9.782000
Herb list :
Refrences & Litretures:
  
916.      Journal:'Natural Product Communications'      Year:'2014'      Volume:'9'      Page:'903'      DOI:'10.1177/1934578X1400900705'      Title:'Chemical Constituents of Marrubium vulgare as Potential Inhibitors of Nitric Oxide and Respiratory Burst'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us