| Phytochemical Name : Pteryxin |
| PCNDIDP0213 |
| Pubchem CID : 5281425 |
| Molecular formula: C21H22O7 |
| Canonical SMILES : CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C |
Synonymes : Pteryxin|13161-75-6|Pterixin|(+)-Pteryxin|[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate|MLS002472948|CHEBI:8632|C1G8A9744Z|HMS2205E19|[(9R,10R)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate|AC1NQYG8|PTERYXINE|Bio-0315|UNII-C1G8A9744Z|CHEMBL1884860|SCHEMBL14511558|BCP10886|HY-N2157|MFCD11519465|AKOS015969719|737005-97-9|MS-26378|SMR001397056|CS-0019457|C09307|Q27108120|(+)-(3'R,4'R)-3'-ACETYL-4'-ANGELOYLKHELLACTONE|17944-23-9|2-BUTENOIC ACID, 2-METHYL-, (9R,10R)-9-(ACETYLOXY)-9,10-DIHYDRO-8,8-DIMETHYL-2-OXO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-10-YL ESTER, (2Z)-|2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-|2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3- ,4-b')dipyran-10-yl ester, (9R-(9alpha,10alpha(Z)))-|CROTONIC ACID, 2-METHYL-, 10-ESTER WITH 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE ACETATE, (Z)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.230 |
| 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 : 3.080 |

