| Compound | erybraedin C |
| NPACT-Id | NPACT01198 |
| IUPAC | - |
| Synonyms | 4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6h-benzofurano[3,2-c]chromene-3,9-diol;6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,8-bis(3-methyl-2-butenyl)-, (6aR, 11aR-cis)-;; |
| PubChem Id | 471688 |
| Class | Flavonoid |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | KBTBQFJRGUJDBI-UHFFFAOYSA-N |
| InChi | 1S/C25H28O4/c1-14(2)5-7-16-11-17(26)12-22-23(16)20-13-28-24-18(8-6-15(3)4)21(27)10-9-19(24)25(20)29-22/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3 |
| SMILES | O1C2C(c3c1cc(O)cc3CC=C(C)C)COc1c2ccc(O)c1CC=C(C)C |
|
SMART | [H]OC1=C([H])C(=C2C(O[C@]3([H])C4=C(OC([H])([H])[C@]23[H])C(=C(O[H])C([H])=C4[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C1[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 119269-74-8 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C488769 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |