(3S,6S,8S,11R,12R,15S,16R,19R,20R,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
| Internal ID | c001f498-7b96-4a40-afd1-0d93d9ac51c8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3S,6S,8S,11R,12R,15S,16R,19R,20R,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol |
| SMILES (Canonical) | CC1(C2CCC3(CC4=CCC5C(C4CCC3C2(CCC1O)C)(CCC(C5(C)CO)O)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@H]3[C@@]([C@@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H]([C@@]5(C)CO)O)C)C2)(CC[C@@H](C3(C)C)O)C |
| InChI | InChI=1S/C30H50O3/c1-26(2)21-11-14-27(3)17-19-7-9-23-28(4,15-13-25(33)30(23,6)18-31)20(19)8-10-22(27)29(21,5)16-12-24(26)32/h7,20-25,31-33H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,27-,28+,29-,30-/m0/s1 |
| InChI Key | BRPWCDQVFKLXQH-ALTFWQDXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of (3S,6S,8S,11R,12R,15S,16R,19R,20R,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol](https://plantaedb.com/storage/docs/compounds/2023/11/45991330-8332-11ee-884a-b7a1949619e9.jpg "2D Structure of (3S,6S,8S,11R,12R,15S,16R,19R,20R,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.94% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.15% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.07% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.72% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.26% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.91% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.64% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.49% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.11% | 91.11% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.97% | 85.49% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.70% | 92.97% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.48% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.40% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.71% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.97% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.67% | 85.30% |
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 | 162950820 |
| LOTUS | LTS0101566 |
| wikiData | Q104944953 |