| Phytochemical Name : Atractylon |
| PCNDIDA0228 |
| Pubchem CID : 3080635 |
| Molecular formula: C15H20O |
| Canonical SMILES : CC1=COC2=C1CC3C(=C)CCCC3(C2)C |
Synonymes : Atractylon|6989-21-5|Atractylone|(4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan|CHEMBL486189|CHEBI:80796|(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran|Atractylol|Atractyloxide|Atractyline(Discontinued)(Sh)|SCHEMBL19082783|DTXSID50220170|HY-N2095|Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-|Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-|BDBM50241938|MFCD00210477|s9158|AKOS016013441|CCG-266696|AC-34104|CS-0018600|C16919|A866723|Q27149840|(4AS,8AR)-3,8A-DIMETHYL-5-METHYLIDENE-4H,4AH,5H,6H,7H,8H,8AH,9H-NAPHTHO[2,3-B]FURAN |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.030 |
| Log Po/w (XLOGP3) : 3.970 |
| Log Po/w (WLOGP) : 4.050 |
| Log Po/w (MLOGP) : 3.420 |
| Log Po/w (SILICOS-IT) : 4.580 |
| Consensus Log Po/w : 3.810 |