(1R,3R,6R,11S,12R,15R,16S,21S)-1,3,7,7,11,16,20,20-octamethyl-2-oxapentacyclo[13.8.0.03,12.06,11.016,21]tricosane
| Internal ID | 412845f1-cf00-4b66-b597-16d9c9641c8c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,3R,6R,11S,12R,15R,16S,21S)-1,3,7,7,11,16,20,20-octamethyl-2-oxapentacyclo[13.8.0.03,12.06,11.016,21]tricosane |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC4C5(CCCC(C5CCC4(O3)C)(C)C)C)C)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@@H]4[C@]5(CCCC([C@H]5CC[C@]4(O3)C)(C)C)C)C)(C)C |
| InChI | InChI=1S/C30H52O/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-16-26(3,4)22(28)14-20-30(24,8)31-29/h21-24H,9-20H2,1-8H3/t21-,22+,23-,24-,27+,28+,29-,30-/m1/s1 |
| InChI Key | WKJQOTFJIQYADY-SDZSFYDGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 9.60 |
| There are no found synonyms. |
![2D Structure of (1R,3R,6R,11S,12R,15R,16S,21S)-1,3,7,7,11,16,20,20-octamethyl-2-oxapentacyclo[13.8.0.03,12.06,11.016,21]tricosane](https://plantaedb.com/storage/docs/compounds/2023/11/e59aaae0-864b-11ee-af1a-ffaab30cfcde.jpg "2D Structure of (1R,3R,6R,11S,12R,15R,16S,21S)-1,3,7,7,11,16,20,20-octamethyl-2-oxapentacyclo[13.8.0.03,12.06,11.016,21]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 | 97.14% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.09% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.20% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.55% | 91.11% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 87.27% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.18% | 98.10% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.03% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.79% | 97.93% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.46% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.14% | 98.99% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.27% | 82.69% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.02% | 99.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.96% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.21% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.65% | 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.
| Polypodium vulgare |
| PubChem | 163042415 |
| LOTUS | LTS0147036 |
| wikiData | Q105307391 |