| Compound | Antofine |
| NPACT-Id | NPACT01131 |
| IUPAC | - |
| Synonyms | Pregn-5-en-20-one, 3.beta.-hydroxy-, acetate;Pregn-5-en-20-one, 3-(acetyloxy)-, (3.beta.)-;Antofin;Artivis;Enescorb;Previsone;Sharmone;Pregenolone acetate;Pregnenolone-3-acetate;Pregn-5-en-20-one, acetate; |
| PubChem Id | 639288 |
| Class | Alkaloids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BCL2 | BCL2L1 | CASP8 | CCND1 | CCNE1 | CDK4 | CTNNBIP1 | PARP1 | TNF | All | |
| Properties | Physical Elemental Topological |
| InChi Key | NCVWJDISIZHFQS-CQSZACIVSA-N |
| InChi | 1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1 |
| SMILES | O(c1cc2c3C[C@@H]4N(CCC4)Cc3c3c(c2cc1OC)cc(OC)cc3)C |
|
SMART | [#6]OC1=CC2=C(C=C1)C1=C(C[C@H]3CCCN3C1)C1=CC(O[#6])=C(O[#6])C=C21 |
| CAS No. | 1778-02-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C473343 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |