| Phytochemical Name : Anisatin |
| PCNDIDA0144 |
| Pubchem CID : 115121 |
| Molecular formula: C15H20O8 |
| Canonical SMILES : CC1CC(C2(C13CC(C(C24COC4=O)(C)O)OC(=O)C3O)O)O |
Synonymes : Anisatin|5230-87-5|(-)-Anisatin|aniasatin|UNII-W9K8802FZL|W9K8802FZL|Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, 4a-beta,5,6a,7,8,9-hexahydro-5,9a-dimethyl-1-alpha,5-beta,6a-beta,7-beta-tetrahydroxy-|Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1R,3'S,4R,5R,6aR,7R,9R,9aS)-|(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione|Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1R-(1alpha,4beta,5beta,6beta,6abeta,7beta,9alpha,9abeta))-|Fruit of illicium anisatum L.|SCHEMBL638960|CHEMBL220362|DTXSID6058396|HY-N9506|BDBM50476092|AKOS040734796|LS-146203|CS-0182027|Q2850134|anisatin, 1S-(1alpha,4beta,5beta,6beta,7beta,9alpha,9abeta)-isomer|4A.BETA.,5,6A,7,8,9-HEXAHYDRO-1.ALPHA.,5.BETA.,6A.BETA.,7.BETA.-TETRAHYDROXY-5,9.ALPHA.-DIMETHYLSPIRO(6H-4,9A-METHANOCYCLOPENT(D)OXOCIN-6,3'-OXETANE)-2,2'(1H)-DIONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.890 |
| Log Po/w (XLOGP3) : -1.890 |
| Log Po/w (WLOGP) : -1.910 |
| Log Po/w (MLOGP) : -0.700 |
| Log Po/w (SILICOS-IT) : -0.380 |
| Consensus Log Po/w : -0.800 |