| Phytochemical Name : Isobavachin |
| PCNDIDI0046 |
| Pubchem CID : 193679 |
| Molecular formula: C20H20O4 |
| Canonical SMILES : CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)C |
Synonymes : Isobavachin|31524-62-6|(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one|(S)-Isobavachin|CHEMBL491534|DTXSID20953509|CHEBI:186172|HMS3886L20|HY-N0762|s9256|AKOS040757105|CCG-267745|AC-35022|MS-24834|LS-185787|CS-0009788|7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.930 |
| Log Po/w (XLOGP3) : 4.120 |
| Log Po/w (WLOGP) : 3.990 |
| Log Po/w (MLOGP) : 2.380 |
| Log Po/w (SILICOS-IT) : 4.220 |
| Consensus Log Po/w : 3.530 |