| Phytochemical Name : Atractylenolide II |
| PCNDIDA0224 |
| Pubchem CID : 14448070 |
| Molecular formula: C15H20O2 |
| Canonical SMILES : CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C |
Synonymes : Atractylenolide II|73069-14-4|2-Atractylenolide|Asterolide|CHEMBL485805|(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one|SCHEMBL19082785|CHEBI:182501|DTXSID301315809|HMS3886J22|HY-N0202|BDBM50241946|MFCD09037396|AKOS025119314|CCG-266807|CS-3670|AC-34012|AS-76824|S9314|C17886|Q-100801|Q63398440|8,12-EPOXYEUDESMA-4(14),7(11)-DIEN-12-ONE|(4aS,8aR,9aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one|(4as,8ar,9as)-3,8a-dimethyl-5-methylidene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4h)-one|(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[][1]benzouran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.650 |
| Log Po/w (XLOGP3) : 2.860 |
| Log Po/w (WLOGP) : 3.380 |
| Log Po/w (MLOGP) : 3.350 |
| Log Po/w (SILICOS-IT) : 3.650 |
| Consensus Log Po/w : 3.180 |