7,7,16-Trimethyl-15-(5-methylhex-3-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 3b0172b6-e144-4b81-99b3-42b3dd4148dc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 3-hydroxysteroids |
| IUPAC Name | 7,7,16-trimethyl-15-(5-methylhex-3-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(C)C=CC(C)C1CCC2C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C |
| SMILES (Isomeric) | CC(C)C=CC(C)C1CCC2C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C |
| InChI | InChI=1S/C28H46O/c1-18(2)7-8-19(3)20-9-10-21-22-11-12-23-25(4,5)24(29)13-14-28(23)17-27(22,28)16-15-26(20,21)6/h7-8,18-24,29H,9-17H2,1-6H3 |
| InChI Key | ZOCLWXBYNBXQGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H46O |
| Molecular Weight | 398.70 g/mol |
| Exact Mass | 398.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of 7,7,16-Trimethyl-15-(5-methylhex-3-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7716-trimethyl-15-5-methylhex-3-en-2-ylpentacyclo97001303801216octadecan-6-ol.jpg "2D Structure of 7,7,16-Trimethyl-15-(5-methylhex-3-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-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 | 95.99% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.92% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.17% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.34% | 91.11% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.95% | 95.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.89% | 95.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.52% | 92.86% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.91% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.50% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.18% | 99.35% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.66% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.39% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.71% | 82.69% |
| CHEMBL204 | P00734 | Thrombin | 85.66% | 96.01% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.33% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.20% | 95.89% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.12% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.89% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.84% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.53% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.48% | 96.21% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.22% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.75% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.38% | 92.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.96% | 93.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.90% | 85.30% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.75% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.50% | 100.00% |
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.
| Senecio lydenburgensis |
| PubChem | 163004324 |
| LOTUS | LTS0202364 |
| wikiData | Q105380364 |