| Compound | actein |
| NPACT-Id | NPACT01114 |
| IUPAC | - |
| Synonyms | (2S,3R,4S,5R)-2-{[(4aR,5'R,5aS,7aR,7bR,10S,11aS,12aS,12bS,14aR)-4'-hydroxy-1,1,5',7a,8,12a-hexamethylhexadecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabicyclo[3.1.0]hexan]-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-trio; |
| PubChem Id | 15558324 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | AKT1 | ATF3 | CCND1 | MAPK1 | NFKB1 | SRC | All | |
| Properties | Physical Elemental Topological |
| InChi Key | NEWMWGLPJQHSSQ-UHFFFAOYSA-N |
| InChi | 1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3 |
| SMILES | O(C1C2(C(C3C4(C5(C4)C(CC3)C(C(OC3OCC(O)C(O)C3O)CC5)(C)C)C1)(CC1OC3(OC(O)C4(OC34)C)CC(C21)C)C)C)C(=O)C |
|
SMART | [#6]C1CC2(OC(O)C3([#6])OC23)OC2CC3([#6])C4CCC5C6(CC46CC(OC([#6])=O)C3([#6])C12)CCC(OC1OCC(O)C(O)C1O)C5([#6])[#6] |
| CAS No. | 18642-44-9 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C096064 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ChemFrog, |
| 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 |