| Phytochemical Name : (+)-Praeruptorin A |
| PCNDIDOT0055 |
| Pubchem CID : 38347607 |
| Molecular formula: C21H22O7 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C |
Synonymes : Praeruptorin A|73069-27-9|(+)-Praeruptorin A|(+-)-Praeruptorin A|CCRIS 7247|[(9S,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate|( inverted exclamation markA)-Praeruptorin A|73069-25-7|2-Butenoic acid, 2-methyl-,(9S,10S)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-|(-)-Praeruptorin A|CHEMBL2376509|DTXSID20653395|14017-71-1|HY-N0081|MFCD23105643|s9388|AKOS016011014|CCG-268478|MS-26376|CS-0007121|(9S,10S)-10-(Acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl (2Z)-2-methylbut-2-enoate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.130 |
| Log Po/w (XLOGP3) : 3.150 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 2.220 |
| Log Po/w (SILICOS-IT) : 3.670 |
| Consensus Log Po/w : 3.060 |