| Phytochemical Name : Wedelolactone |
| PCNDIDW0004 |
| Pubchem CID : 5281813 |
| Molecular formula: C16H10O7 |
| Canonical SMILES : COC1=CC(=C2C(=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)O)O)O |
Synonymes : Wedelolactone|524-12-9|7-Methoxy-5,11,12-trihydroxycoumestan|7-Methoxy-5,11,12-trihydroxy-coumestan|IKK Inhibitor II|1,8,9-Trihydroxy-3-methoxycoumestan|UNII-0K6L725GNS|CHEMBL97453|0K6L725GNS|CHEBI:10037|1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c]chromen-6-one|5,11,12-Trihydroxy-7-methoxycoumestan|1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one|6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,8,9-trihydroxy-3-methoxy-|1,8,9-Trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one|1,8,9-TRIHYDROXY-3-METHOXY-6H-(1)BENZOFURO(3,2-C)CHROMEN-6-ONE|MFCD07778564|1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one|D0F8QJ|SCHEMBL601220|GTPL5551|DTXSID60200408|Wedelolactone, analytical standard|1,8,9-trihydroxy-3-methoxy-benzofuro[3,2-c]chromen-6-one|HMS2043P19|BCP19859|C16H10O7|HY-N0551|BDBM50096619|HB4124|LMPK12090046|s9042|AKOS015897173|CCG-208289|SMP2_000112|NCGC00163667-01|NCGC00163667-02|NCGC00163667-03|Wedelolactone, >=98% (HPLC), powder|AC-34562|CS-0009079|FT-0698529|W0015|A14804|K00058|A936784|SR-05000002318|Q6586709|SR-05000002318-2|BRD-K53635676-001-01-5|BRD-K53635676-001-02-3|Wedelolactone; 7-Methoxy-5,11,12-trihydroxy-coumestan|B0005-464576|1,8,9-trihydroxy-3-methoxy-[1]benzoxolo[3,2-c]chromen-6-one|Wedelolactone, European Pharmacopoeia (EP) Reference Standard|1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]chromen-6-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.920 |
| Log Po/w (XLOGP3) : 2.380 |
| Log Po/w (WLOGP) : 2.820 |
| Log Po/w (MLOGP) : 0.930 |
| Log Po/w (SILICOS-IT) : 2.420 |
| Consensus Log Po/w : 2.090 |