| Phytochemical Name : Arteglasin A |
| PCNDIDA0194 |
| Pubchem CID : 169494 |
| Molecular formula: C17H20O5 |
| Canonical SMILES : CC1=C2CC3C(C2C4C(C(C1)OC(=O)C)C(=C)C(=O)O4)(O3)C |
Synonymes : Arteglasin A|33204-39-6|[(1S,2S,6R,7S,12R,14S)-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] acetate|Oxireno(2,3)azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,7abeta,8abeta,8balpha,8cbeta))-|C09303|CHEBI:2850|CHEMBL4518431|DTXSID60954813|4.xi.-Guaia-1(10),11(13)-dien-12-oic acid, 3,4-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,6-lactone, acetate|Oxireno[2,3]azuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,7,7a,8a,8b,8c-octahydro-6,8a-dimethyl-3-methylene-|Q27105847|6,8a-Dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl acetate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.480 |
| Log Po/w (XLOGP3) : 0.950 |
| Log Po/w (WLOGP) : 1.910 |
| Log Po/w (MLOGP) : 2.000 |
| Log Po/w (SILICOS-IT) : 2.630 |
| Consensus Log Po/w : 2.000 |