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ScientificNameLabel
(R)-(-)-Aloesaponol III 8-Methyl Ether
PHCD compound ID : 5558
Chemical Names :
(R)-(-)-Aloesaponol III 8-Methyl Ether
Molecular Formula : C16H16O4
Molecular Weight : 272.104859
More Details :
Names & Synonyms: 4,9-dihydroxy-8-methoxy-6-methyl-3,4-dihydro-2H-anthracen-1-one , 4,9-dihydroxy-8-methoxy-6-methyl-3,4-dihydro-2H-anthracen-1-one , 8-methoxy-6-methyl-4,9-bis(oxidanyl)-3,4-dihydro-2H-anthracen-1-one
Smiles: COc1cc(C)cc2c1c(O)c1c(c2)[C@@H](O)CCC1=O
InChi : InChI=1S/C16H16O4/c1-8-5-9-7-10-11(17)3-4-12(18)15(10)16(19)14(9)13(6-8)20-2/h5-7,11,17,19H,3-4H2,1-2H3/t11-/m0/s1
InChi Key : InChIKey=MJYOMLOZJVCNBR-NSHDSACASA-N
PubChem ID : 21603498
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.623022
Hydrogen bond donor count : 2 Electric dipole moment : 4.355
XLogP : 0.896 VDW volume : 245.764991
Molecular weight : 272.104859 HOMO-LUMO gap : 7.864000
Herb list :
Refrences & Litretures:
  
941.      Journal:'Molecules'      Year:'2017'      Volume:'22'      Page:'519'      DOI:'10.3390/molecules22040519'      Title:'(R)-(?)-Aloesaponol III 8-Methyl Ether from Eremurus persicus: A Novel Compound against Leishmaniosis'
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