Serratenediol-21-acetate
| Internal ID | d1b91856-dc63-4e6a-9309-135ebb069fd7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(1S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate |
| SMILES (Canonical) | CC(=O)OC1CCC2(C3CCC4C(CCC5C4(CCC(C5(C)C)O)C)(CC3=CCC2C1(C)C)C)C |
| SMILES (Isomeric) | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@H]4[C@@](CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)(CC3=CC[C@H]2C1(C)C)C)C |
| InChI | InChI=1S/C32H52O3/c1-20(33)35-27-15-18-31(7)22-10-12-25-30(6,19-21(22)9-11-23(31)29(27,4)5)16-13-24-28(2,3)26(34)14-17-32(24,25)8/h9,22-27,34H,10-19H2,1-8H3/t22-,23-,24-,25-,26-,27-,30-,31+,32-/m0/s1 |
| InChI Key | BCRIHVCDVNFYHV-HOZQILAUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.80 g/mol |
| Exact Mass | 484.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.10 |
| 38746-57-5 |
| C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)- |
| [(1S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate |
| DTXSID50959559 |
| 11-Hydroxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-yl acetate |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.66% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.30% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.11% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.89% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.30% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.36% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.68% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.24% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.79% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.77% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.41% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.48% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.45% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.28% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Huperzia serrata |
| PubChem | 3082493 |
| LOTUS | LTS0134371 |
| wikiData | Q82940351 |