| Phytochemical Name : Prostratin |
| PCNDIDP0181 |
| Pubchem CID : 454217 |
| Molecular formula: C22H30O6 |
| Canonical SMILES : CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C |
Synonymes : Prostratin|60857-08-1|12-Deoxyphorbol-13-acetate|12-Deoxyphorbol 13-acetate|CHEBI:69818|(1aR,1bS,4aR,7aS,7bR,8R,9aS)-9a-(Acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one|Stillingia Factor S7|KO94U6DIQ6|[dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] acetate|NSC-623310|(1AR,1BS,4AR,7AS,7BR,8R,9AS)-9A-(ACETYLOXY)-1,1A,1B,4,4A,7A,7B,8,9,9A-DECAHYDRO-4A,7B-DIHYDROXY-3-(HYDROXYMETHYL)-1,1,6,8-TETRAMETHYL-5H-CYCLOPROPA(3,4)BENZ(1,2-E)AZULEN-5-ONE|Prostatin >99%|NSC 623310; SA 101A; Stillingia factor S7|SCHEMBL344837|CHEMBL170518|Prostratin, >=98% (HPLC)|SA-101A|HMS3648K03|BDBM50368315|K-101A|13-O-ACETYL-12-DEOXYPHORBOL|AKOS027250797|CCG-208192|SMP2_000144|12-deoxyphorbol-13-acetate (prostratin)|MS-26507|HY-107421|CS-0028449|C20197|SR-01000946228|Q3270742|SR-01000946228-1|BRD-K91145395-001-01-9|4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate|5H-CYCLOPROPA(3,4)BENZ(1,2-E)AZULEN-5-ONE, 9A-(ACETYLOXY)-1,1A,1B,4,4A,7A,7B,8,9,9A-DECAHYDRO-4A,7B-DIHYDROXY-3-(HYDROXYMETHYL)-1,1,6,8-TETRAMETHYL-, (1AR,1BS,4AR,7AS,7BR,8R,9AS)-|5H-CYCLOPROPA(3,4)BENZ(1,2-E)AZULEN-5-ONE, 9A-(ACETYLOXY)-1,1A,1B,4,4A,7A,7B,8,9,9A-DECAHYDRO-4A,7B-DIHYDROXY-3-(HYDROXYMETHYL)-1,1,6,8-TETRAMETHYL-, (1AR-(1A.ALPHA.,1B.BETA.,4A.BETA.,7A.ALPHA.,7B.ALPHA.,8.ALPHA.,9A.ALPHA.))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.490 |
| Log Po/w (XLOGP3) : 0.700 |
| Log Po/w (WLOGP) : 1.530 |
| Log Po/w (MLOGP) : 1.520 |
| Log Po/w (SILICOS-IT) : 2.250 |
| Consensus Log Po/w : 1.700 |