(1R,4S,5R,8R,13R,14S,17R,18S,21S)-5,8,11,11,14,17,23,23-octamethyl-22-oxahexacyclo[19.1.1.01,18.04,17.05,14.08,13]tricosane
| Internal ID | 366e5d24-3438-40c3-8162-123ba9759d31 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,4S,5R,8R,13R,14S,17R,18S,21S)-5,8,11,11,14,17,23,23-octamethyl-22-oxahexacyclo[19.1.1.01,18.04,17.05,14.08,13]tricosane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O/c1-24(2)13-14-26(5)15-17-28(7)20-11-12-30-21(9-10-23(31-30)25(30,3)4)27(20,6)16-18-29(28,8)22(26)19-24/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23-,26+,27+,28+,29-,30+/m0/s1 |
| InChI Key | JVGFZGDTAYCUDA-NBSGMAPESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 9.70 |
| There are no found synonyms. |
![2D Structure of (1R,4S,5R,8R,13R,14S,17R,18S,21S)-5,8,11,11,14,17,23,23-octamethyl-22-oxahexacyclo[19.1.1.01,18.04,17.05,14.08,13]tricosane](https://plantaedb.com/storage/docs/compounds/2023/11/80262fe0-8643-11ee-bbe3-6f023f46e6fc.jpg "2D Structure of (1R,4S,5R,8R,13R,14S,17R,18S,21S)-5,8,11,11,14,17,23,23-octamethyl-22-oxahexacyclo[19.1.1.01,18.04,17.05,14.08,13]tricosane")
| 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 | 93.95% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.15% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.77% | 97.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.39% | 92.51% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.66% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.99% | 92.94% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 87.73% | 88.81% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.68% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.77% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.30% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.40% | 82.69% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.96% | 97.31% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.68% | 92.98% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.66% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.37% | 91.03% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.36% | 98.99% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.19% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.94% | 92.97% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.84% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.06% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.00% | 97.93% |
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.
| Rhododendron westlandii |
| PubChem | 15558896 |
| LOTUS | LTS0127774 |
| wikiData | Q105135688 |