| Phytochemical Name : (-)-Deltoin |
| PCNDIDOT0010 |
| Pubchem CID : 906525 |
| Molecular formula: C19H20O5 |
| Canonical SMILES : CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 |
Synonymes : (-)-Deltoin|Marmesin tiglate|(-)-Sprengelianin|Deloin|19662-71-6|CHEBI:81122|UNII-H7ID2E493F|H7ID2E493F|CHEMBL1443379|MLS002472894|DTXSID101318302|HMS2198O06|BDBM50492398|SMR001397005|C17482|A813920|Q27155078|(E)-2-methyl-2-butenoic acid 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester|2,3-Dihydro-2alpha-[1-methyl-1-(2-methyl-2-butenoyloxy)ethyl]-7H-furo[3,2-g][1]benzopyran-7-one|2-[(2S)-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (E)-2-methylbut-2-enoate|2-BUTENOIC ACID, 2-METHYL-, 1-((2S)-2,3-DIHYDRO-7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-2-YL)-1-METHYLETHYL ESTER, (2E)-|2-BUTENOIC ACID, 2-METHYL-, 1-(2,3-DIHYDRO-7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-2-YL)-1-METHYLETHYL ESTER, (S-(E))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.190 |
| Log Po/w (XLOGP3) : 3.690 |
| Log Po/w (WLOGP) : 3.380 |
| Log Po/w (MLOGP) : 2.640 |
| Log Po/w (SILICOS-IT) : 4.050 |
| Consensus Log Po/w : 3.390 |