| Phytochemical Name : [8,8-Dimethyl-9-(2-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbut-2-enoate |
| PCNDIDOT0304 |
| Pubchem CID : 163334 |
| Molecular formula: C24H26O7 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C |
Synonymes : Praeruptorin D|Praeruptorin B|Anomalin|[8,8-dimethyl-9-(2-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbut-2-enoate|(-)-Praeruptorin B|4970-26-7|73069-28-0|[(9R,10R)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate|[(9S,10S)-8,8-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate|FT-0699023|FT-0776160|(2Z,2'Z)-(9S,10S)-8,8-Dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromene-9,10-diyl bis(2-methylbut-2-enoate) |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.070 |
| Log Po/w (XLOGP3) : 4.340 |
| Log Po/w (WLOGP) : 4.070 |
| Log Po/w (MLOGP) : 2.790 |
| Log Po/w (SILICOS-IT) : 4.560 |
| Consensus Log Po/w : 3.970 |