(1R,2S,5S,6S,11R,14S,15R,18S,20S)-2,5,8,8,11,14,19,19-octamethyl-23-oxahexacyclo[18.2.1.01,18.02,15.05,14.06,11]tricosane
| Internal ID | 3a29d932-1b91-4061-a831-28ed127e4e8a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,2S,5S,6S,11R,14S,15R,18S,20S)-2,5,8,8,11,14,19,19-octamethyl-23-oxahexacyclo[18.2.1.01,18.02,15.05,14.06,11]tricosane |
| SMILES (Canonical) | CC1(CCC2(CCC3(C4CCC5C(C6CCC5(C4(CCC3(C2C1)C)C)O6)(C)C)C)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@]3([C@H]4CC[C@@H]5[C@@]6([C@]4(CC[C@]3([C@H]1CC(CC2)(C)C)C)C)CC[C@@H](C5(C)C)O6)C |
| InChI | InChI=1S/C30H50O/c1-24(2)13-14-26(5)15-16-27(6)21-10-9-20-25(3,4)23-11-12-30(20,31-23)29(21,8)18-17-28(27,7)22(26)19-24/h20-23H,9-19H2,1-8H3/t20-,21+,22-,23-,26+,27-,28-,29-,30+/m0/s1 |
| InChI Key | KSXPPAGQQYHJFU-ZVTDDNTRSA-N |
| Popularity | 0 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,2S,5S,6S,11R,14S,15R,18S,20S)-2,5,8,8,11,14,19,19-octamethyl-23-oxahexacyclo[18.2.1.01,18.02,15.05,14.06,11]tricosane](https://plantaedb.com/storage/docs/compounds/2023/11/b988f900-85a1-11ee-9d3c-693ed5e34672.jpg "2D Structure of (1R,2S,5S,6S,11R,14S,15R,18S,20S)-2,5,8,8,11,14,19,19-octamethyl-23-oxahexacyclo[18.2.1.01,18.02,15.05,14.06,11]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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.54% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.41% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.79% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.17% | 95.58% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.07% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.02% | 91.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.66% | 95.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.58% | 94.78% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.51% | 85.30% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.08% | 97.31% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.01% | 100.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.04% | 83.57% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.01% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.07% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.52% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.13% | 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 barbatum |
| PubChem | 162988892 |
| LOTUS | LTS0235828 |
| wikiData | Q105145643 |