| Compound | 1-alpha,2-alpha-Di-(alpha-methyl)-butanoyl-4-beta-hydrooxy-9-beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran |
| NPACT-Id | NPACT01473 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | RZKHWBQSRXGRFP-GSIHAPLWSA-N |
| InChi | 1S/C32H46O11/c1-9-18(3)26(34)40-23-15-30(8,37)32-14-22(29(6,7)43-32)13-24(41-28(36)21-11-12-38-16-21)31(32,17-39-20(5)33)25(23)42-27(35)19(4)10-2/h11-12,16,18-19,22-25,37H,9-10,13-15,17H2,1-8H3/t18?,19?,22-,23+,24+,25+,30+,31-,32+/m1/s1 |
| SMILES | [C@@H]1([C@H]([CH][C@@]([C@]23[C@@]1([C@H](C[C@H]([CH]2)C(O3)(C)C)OC(=O)c1ccoc1)COC(=O)C)(O)C)OC(=O)C(C)CC)OC(=O)C(C)CC |
|
SMART | [H]C1[C@H]2C[C@H](OC(=O)C3=COC=C3)[C@]3(COC([#6])=O)[C@@H](OC(=O)C([#6])C[#6])[C@@H](OC(=O)C([#6])C[#6])C([H])[C@]([#6])(O)[C@@]13O[C@]2([#6])[#6] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |