Compound | 3-beta-acetoxy-25-hydroxylanosta-8,23-diene |
NPACT-Id | NPACT01513 |
IUPAC | [(3S,5R,9R,10R,13S,14S,17S)-17-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
Synonyms | - |
PubChem Id | 10624741 |
Class | Terpenoids |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | WBSWTRWRHYYJBZ-JAHQPDKISA-N |
InChi | 1S/C32H52O3/c1-21(11-10-17-28(3,4)34)23-14-19-32(9)25-12-13-26-29(5,6)27(35-22(2)33)16-18-30(26,7)24(25)15-20-31(23,32)8/h10,12,17,21,23-24,26-27,34H,11,13-16,18-20H2,1-9H3/b17-10-/t21-,23+,24+,26+,27+,30-,31+,32-/m1/s1 |
SMILES | O([C@@H]1C([C@H]2[C@@]([C@@H]3C(=CC2)[C@@]2([C@]([C@@H](CC2)[C@@H](C/C=CC(O)(C)C)C)(CC3)C)C)(CC1)C)(C)C)C(=O)C |
SMART | [#6][C@H](CC=C/C(O)([#6])[#6])[C@@H]1CC[C@]2([#6])C3=CC[C@H]4C([#6])([#6])[C@H](CC[C@]4([#6])[C@H]3CC[C@@]12[#6])OC(=O)[#6] |
CAS No. | - |
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Structure Download |
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Suppliers | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |