| Phytochemical Name : Atractylenolide I |
| PCNDIDA0223 |
| Pubchem CID : 5321018 |
| Molecular formula: C15H18O2 |
| Canonical SMILES : CC1=C2CC3C(=C)CCCC3(C=C2OC1=O)C |
Synonymes : Atractylenolide I|73069-13-3|AtractylenolideI|Atractylenolide-1|Atractylenolide 1|Atractylenolide-I|CHEMBL449520|(4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one|8,9-dehydroasterolide|SCHEMBL1898423|DTXSID901316467|HMS3886N08|HY-N0201|BDBM50241939|MFCD09037395|s8291|Atractylenolide I, >=98% (HPLC)|AKOS025119313|CCG-266793|CCG-266794|CS-3669|AC-34011|AS-77802|C17885|Q-100800|Q63396593|8,12-EPOXYEUDESMA-4(14),7(11),8-TRIEN-12-ONE|(4aS,8aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-2(4H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.880 |
| Log Po/w (XLOGP3) : 2.990 |
| Log Po/w (WLOGP) : 3.510 |
| Log Po/w (MLOGP) : 3.260 |
| Log Po/w (SILICOS-IT) : 3.630 |
| Consensus Log Po/w : 3.250 |