| Phytochemical Name : Hyperforin |
| PCNDIDH0076 |
| Pubchem CID : 441298 |
| Molecular formula: C35H52O4 |
| Canonical SMILES : CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C |
Synonymes : hyperforin|11079-53-1|hiperforina|hyperforine|(+)-Hyperforin|CHEBI:5834|UNII-RM741E34FP|RM741E34FP|CHEMBL1237210|HSDB 7646|(1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione|(1R,5S,6R,7S)-4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione|Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-|C35-H52-O4|BICYCLO(3.3.1)NON-3-ENE-2,9-DIONE, 4-HYDROXY-6-METHYL-1,3,7-TRIS(3-METHYL-2-BUTEN-1-YL)-5-(2-METHYL-1-OXOPROPYL)-6-(4-METHYL-3-PENTEN-1-YL)-, (1R,5S,6R,7S)-|HYPERFORIN [MI]|Spectrum5_002025|HYPERFORIN [HSDB]|D09VTJ|HYPERFORIN [WHO-DD]|SCHEMBL98723|CHEMBL501711|GTPL2764|Hyperforin, >=85% (HPLC)|SCHEMBL15557965|DTXSID90891409|BCP06690|BDBM50193079|PDSP2_001346|DB01892|NCGC00163120-01|HY-116330|CS-0065073|C07608|Q412742|Q-100063|HYPERFORIN (CONSTITUENT OF ST. JOHN'S WORT) [DSC] |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.950 |
| Log Po/w (XLOGP3) : 9.630 |
| Log Po/w (WLOGP) : 8.990 |
| Log Po/w (MLOGP) : 4.570 |
| Log Po/w (SILICOS-IT) : 9.620 |
| Consensus Log Po/w : 7.750 |