| Phytochemical Name : Atractylenolide III |
| PCNDIDA0225 |
| Pubchem CID : 155948 |
| Molecular formula: C15H20O3 |
| Canonical SMILES : CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C |
Synonymes : Atractylenolide III|73030-71-4|AtractylenolideIII|Codonolactone|8beta-Hydroxyasterolide|8-Hydroxyasterolide|CHEMBL486961|CHEBI:69958|HSDB 8108|(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one|Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)-|Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-,(4aS,8aR,9aS)-|Icodonolactone|Atractylenolide beta|Atractylenolide-III|atractylenolide cento|8b-Hydroxyasterolide|Atractylodes japonica|MFCD00238543|SCHEMBL19082784|DTXSID50223308|ICodonolactone;8-Hydroxyasterolide|BCP18761|HY-N0203|BDBM50241945|s9313|AKOS015897171|Atractylenolide III, >=98% (HPLC)|CCG-266941|CS-3671|NCGC00385304-01|AC-34013|AS-77621|C17887|Q-100798|Q27138303|Z3234884883|(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one|(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one|aphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.340 |
| Log Po/w (XLOGP3) : 2.100 |
| Log Po/w (WLOGP) : 2.700 |
| Log Po/w (MLOGP) : 2.470 |
| Log Po/w (SILICOS-IT) : 3.130 |
| Consensus Log Po/w : 2.550 |