| Phytochemical Name : Prehispanolone |
| PCNDIDP0156 |
| Pubchem CID : 196854 |
| Molecular formula: C20H30O3 |
| Canonical SMILES : CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C |
Synonymes : Prehispanolone|132922-55-5|LC 5504|15,16-Diepxoylabdane-14-en-7-one|LC-5504|CHEMBL4751421|DTXSID80927867|AKOS040747302|(2''S,3R,4a''S,5'S,8a''S)-2'',5'',5'',8a''-tetramethyl-3',4',4a'',5'',6'',7'',8'',8a''-octahydro-2H,2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-3''(4''H)-one|2'',5'',5'',8''a-Tetramethyl-4''a,5'',6'',7'',8'',8''a-hexahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-3''(4''H)-one|Dispiro(furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen)-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl-, (1''R-(1''alpha(R*),2''alpha,4''aalpha,8''abeta))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.160 |
| Log Po/w (XLOGP3) : 3.760 |
| Log Po/w (WLOGP) : 4.260 |
| Log Po/w (MLOGP) : 2.940 |
| Log Po/w (SILICOS-IT) : 4.030 |
| Consensus Log Po/w : 3.630 |