| Phytochemical Name : Unii-95N0gbb2SX |
| PCNDIDU0006 |
| Pubchem CID : 13919185 |
| Molecular formula: C23H34O5 |
| Canonical SMILES : CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C |
Synonymes : Tussilagone|104012-37-5|UNII-95N0GBB2SX|95N0GBB2SX|(7R,14R)-14-Acetoxy-7-((2'E)-3'-methylpent-2'-enoyloxy)-oplopanone|L-652469|2-PENTENOIC ACID, 3-METHYL-, (1S,3AR,5R,7S,7AS)-1-((1R)-1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (2E)-|2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (1S-(1-alpha(S*),3a-beta,5-beta(E),7-alpha,7a-alpha))-|DTXSID801318139|HY-N1388|AKOS040759061|oplopanone, (7R,14R)-14-acetoxy-7-((2E)-3'-methylpent-2'-enoyloxy)-|CCG-268534|2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (1S-(1alpha(S*),3abeta,5beta(E),7alpha,7aalpha))-|AC-34378|MS-26511|CS-0016808|S9180|Q27271803|2-PENTENOIC ACID, 3-METHYL-, 1-(1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (1S-(1.ALPHA.(S*),3A.BETA.,5.BETA.(E),7.ALPHA.,7A.ALPHA.))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.120 |
| Log Po/w (XLOGP3) : 4.140 |
| Log Po/w (WLOGP) : 4.260 |
| Log Po/w (MLOGP) : 3.270 |
| Log Po/w (SILICOS-IT) : 4.460 |
| Consensus Log Po/w : 4.050 |