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zaluzanin C
PHCD compound ID : 5602
Chemical Names :
zaluzanin C
Molecular Formula : C15H18O3
Molecular Weight : 246.125594
More Details :
Names & Synonyms: (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one , (3aS,6aR,8S,9aR,9bS)-3,6,9-trimethylidene-8-oxidanyl-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Smiles: O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
InChi : InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1
InChi Key : InChIKey=XFVLNEYIZGZDHP-PEDHHIEDSA-N
PubChem ID : 72646
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.074147
Hydrogen bond donor count : 1 Electric dipole moment : 5.419
XLogP : 1.054 VDW volume : 246.751697
Molecular weight : 246.125594 HOMO-LUMO gap : 9.757000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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