Compound | Ent-7-alpha-Acetoxy-14-beta-hydroxykaur-16-en-15-one |
NPACT-Id | NPACT00529 |
IUPAC | - |
Synonyms | - |
PubChem Id | 10713565 |
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 | GGCDQFFYAFEDMA-NBTROFBBSA-N |
InChi | 1S/C22H32O4/c1-12-14-7-8-15-21(5)10-6-9-20(3,4)16(21)11-17(26-13(2)23)22(15,18(12)24)19(14)25/h14-17,19,25H,1,6-11H2,2-5H3/t14-,15+,16-,17-,19-,21+,22+/m1/s1 |
SMILES | O([C@H]1[C@]23[C@H]([C@]4([C@H](C1)C(CCC4)(C)C)C)CC[C@@H]([C@H]2O)C(=C)C3=O)C(=O)C |
SMART | [#6]C(=O)O[C@@H]1C[C@@H]2[C@@]([#6])([#6])CCC[C@@]2([#6])[C@@H]2CC[C@H]3[C@@H](O)[C@]12C(=O)C3=C |
CAS No. | - |
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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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |