Compound | Ent-Kaur-16-en-15-one |
NPACT-Id | NPACT00537 |
IUPAC | - |
Synonyms | - |
PubChem Id | 10334208 |
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 | QDDOPNSTHQXUQO-AOHSKODXSA-N |
InChi | 1S/C20H30O/c1-13-14-6-7-16-19(4)10-5-9-18(2,3)15(19)8-11-20(16,12-14)17(13)21/h14-16H,1,5-12H2,2-4H3/t14-,15-,16+,19-,20-/m1/s1 |
SMILES | O=C1[C@]23[C@H]([C@]4([C@@H](C(CCC4)(C)C)CC2)C)CC[C@@H](C3)C1=C |
SMART | [#6][C@@]1([#6])CCC[C@@]2([#6])[C@@H]3CC[C@H]4C[C@@]3(CC[C@H]12)C(=O)C4=C |
CAS No. | 14140-75-1 |
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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 | No |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |