| Phytochemical Name : Lactucin |
| PCNDIDL0008 |
| Pubchem CID : 442266 |
| Molecular formula: C15H16O5 |
| Canonical SMILES : CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO |
Synonymes : Lactucin|Lactucine|1891-29-8|VJQAFLAZRVKAKM-VZLIPTOUSA-|UNII-R6E2918904|R6E2918904|(3aR,4S,9aS,9bR)-4-Hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione|AC1L9CIQ|LACTUCIN [MI]|CHEBI:6358|SCHEMBL14215975|DTXSID70894751|Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-, [3aR-(3a.alpha.,4.alpha.,9a.alpha.,9b.beta.)]-|HY-N9438|AKOS040763768|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|CS-0169537|C09489|(3AR,4S,9AS,9BR)-3,3A,4,5,9A,9B-HEXAHYDRO-4-HYDROXY-9-(HYDROXYMETHYL)-6-METHYL-3-METHYLENEAZULENO(4,5-B)FURAN-2,7-DIONE|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione|Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aR-(3aalpha,4beta,9aalpha,9bbeta))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.730 |
| Log Po/w (XLOGP3) : -0.720 |
| Log Po/w (WLOGP) : 0.280 |
| Log Po/w (MLOGP) : 0.610 |
| Log Po/w (SILICOS-IT) : 1.390 |
| Consensus Log Po/w : 0.660 |

