15-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol
| Internal ID | 8b05d82e-fd39-4ff9-b0a9-c30252c3813f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives > Monohydroxy bile acids, alcohols and derivatives |
| IUPAC Name | 15-(5-hydroperoxy-6-methylhept-6-en-2-yl)-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H46O3/c1-18(2)23(32-31)11-7-19(3)20-8-9-21-22-10-12-24-26(4,5)25(30)13-14-29(24)17-28(22,29)16-15-27(20,21)6/h12,19-23,25,30-31H,1,7-11,13-17H2,2-6H3 |
| InChI Key | IDHAFXOFXHXZPR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O3 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.34469533 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 15-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/04f4d260-858e-11ee-86b0-2b182bc162e6.jpg "2D Structure of 15-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-7,7,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-8-en-6-ol")
| 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 | 98.37% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.54% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.15% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.40% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.56% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.72% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.15% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.53% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.16% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.20% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.87% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.98% | 93.00% |
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.
| Aglaia grandis |
| PubChem | 162872395 |
| LOTUS | LTS0137999 |
| wikiData | Q105111367 |