| Phytochemical Name : Praeruptorin E |
| PCNDIDP0150 |
| Pubchem CID : 6440581 |
| Molecular formula: C24H28O7 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C |
Synonymes : Praeruptorin E|78478-28-1|[(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate|3'-Angeloyl-4'-isovalerylkhellactone|2-Butenoic acid, 2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-|Pd-III|(+)-Praeruptorin B|HY-N6066|s9151|AKOS015897122|C24-H28-O7|CCG-268981|2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester, (9S-(9alpha(Z),10alpha))-|AC-34017|MS-27583|CS-0032288|E87094 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.190 |
| Log Po/w (XLOGP3) : 4.410 |
| Log Po/w (WLOGP) : 4.150 |
| Log Po/w (MLOGP) : 2.860 |
| Log Po/w (SILICOS-IT) : 4.720 |
| Consensus Log Po/w : 4.070 |