| Phytochemical Name : Arnicolide D |
| PCNDIDA0187 |
| Pubchem CID : 182199 |
| Molecular formula: C19H24O5 |
| Canonical SMILES : CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(=C)C |
Synonymes : Arnicolide D|34532-68-8|[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate|11,13-Dihydrohelenalin methacrylate|(3aR)-4,4a,7aalpha,8,9,9aalpha-Hexahydro-4alpha-(methacryloyloxy)-3beta,4abeta,8alpha-trimethylazuleno[6,5-b]furan-2,5(3H,3aalphaH)-dione|ArnicolideD|CHEMBL187998|DTXSID40188078|CHEBI:182268|HY-N6843|AKOS030632142|11alpha,13-dihydrohelenalinmethacrylate|NCGC00347858-02|Methacryl-dihydrohelenalin (Arnicolide D)|MS-25004|LS-123680|CS-0100262|E80741|[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]uran-9-yl] 2-methylprop-2-enoate|2-Propenoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8- trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (3S-(3alpha,3abeta,4beta,4aalpha,7abeta,8beta,9abeta))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.550 |
| Log Po/w (XLOGP3) : 2.070 |
| Log Po/w (WLOGP) : 2.450 |
| Log Po/w (MLOGP) : 2.390 |
| Log Po/w (SILICOS-IT) : 2.430 |
| Consensus Log Po/w : 2.380 |

