| Phytochemical Name : Anemonin |
| PCNDIDA0135 |
| Pubchem CID : 10496 |
| Molecular formula: C10H8O4 |
| Canonical SMILES : C1CC2(C13C=CC(=O)O3)C=CC(=O)O2 |
Synonymes : Anemonin|90921-11-2|1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione|NSC94101|NSC 94101|4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione|1,-7--Dioxadispiro[4.0.4.2-]-dodeca--3,-9--diene--2,-8--dione|Anemonine; Pulsatilla camphor; trans-Anemonin|1,7-DIOXADISPIRO(4.0.4.2)DODECA-3,9-DIENE-2,8-DIONE|BRN 0009390|1,7-dioxadispiro[4.0.4?.2?]dodeca-3,9-diene-2,8-dione|1,2-Cyclobutanediacrylic acid, 1,2-dihydroxy-, di-gamma-lactone|SCHEMBL165744|1,7-Dioxadispiro(4.0.4.2)dodeca-3,9-diene-2,8-dione, trans-|(5R,6R)-rel-1,7-Dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione|beta,beta'-1,2-dihydroxy-1,2-cyclobutanediacrylic acid di-gamma-lactone|CHEMBL1972777|DTXSID80871710|AMY19500|4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione|NSC-94101|AKOS006278221|LS-62228|NCI60_042100|CS-0018238|FT-0699191|A860664|Q416699|Q-100925|1,7-Dioxadispiro[4.0.4~6~.2~5~]dodeca-3,9-diene-2,8-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.630 |
| Log Po/w (XLOGP3) : 0.410 |
| Log Po/w (WLOGP) : 0.480 |
| Log Po/w (MLOGP) : 0.970 |
| Log Po/w (SILICOS-IT) : 1.220 |
| Consensus Log Po/w : 0.940 |