Compound | 16-alpha- hydroxycleroda-3,13-dien-15,16-olide |
NPACT-Id | NPACT01525 |
IUPAC | 3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2-hydroxy-2H-furan-5-one |
Synonyms | - |
PubChem Id | 14487070 |
Class | Terpenoids |
In-vitro anticancer activity | 4 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | LVSCWEDTMWAASP-UHFFFAOYSA-N |
InChi | 1S/C20H30O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,12,14,16,18,22H,5,7-11H2,1-4H3 |
SMILES | O1C(O)C(=CC1=O)CCC1(C2C(CCC1C)(C(=CCC2)C)C)C |
SMART | [#6]C1CCC2([#6])C(CCC=C2[#6])C1([#6])CCC1=CC(=O)OC1O |
CAS No. | - |
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Structure Download |
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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 |