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ScientificNameLabel
Acanthiolide
PHCD compound ID : 5607
Chemical Names :
Acanthiolide
Molecular Formula : C19H24O6
Molecular Weight : 348.157288
More Details :
Names & Synonyms: [(6E,10E)-6-formyl-4-hydroxy-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate , 2-methylpropanoic acid [(6E,10E)-6-formyl-4-hydroxy-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] ester , [(6E,10E)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate , [(6E,10E)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate , [(6E,10E)-6-methanoyl-10-methyl-3-methylidene-4-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate , 2-methylpropionic acid [(6E,10E)-6-formyl-4-hydroxy-2-keto-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] ester
Smiles: O=CC1=CCCC(=C[C@H]2[C@H]([C@@H]([C@@H]1OC(=O)C(C)C)O)C(=C)C(=O)O2)C
InChi : InChI=1S/C19H24O6/c1-10(2)18(22)25-17-13(9-20)7-5-6-11(3)8-14-15(16(17)21)12(4)19(23)24-14/h7-10,14-17,21H,4-6H2,1-3H3/b11-8+,13-7-/t14-,15+,16-,17+/m0/s1
InChi Key : InChIKey=MWYCMNPDBWRCKB-GCCUUENKSA-N
PubChem ID : 6183153
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.884330
Hydrogen bond donor count : 1 Electric dipole moment : 7.292
XLogP : 1.426 VDW volume : 349.389857
Molecular weight : 348.157288 HOMO-LUMO gap : 9.027000
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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