19-Hydroperoxy-4,7,7,10,13,18,18-heptamethyl-24-oxahexacyclo[13.7.2.01,14.04,13.05,10.017,22]tetracos-16-ene
| Internal ID | b3ca326e-37f7-4a6a-9f37-b187e420c825 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 19-hydroperoxy-4,7,7,10,13,18,18-heptamethyl-24-oxahexacyclo[13.7.2.01,14.04,13.05,10.017,22]tetracos-16-ene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O3/c1-25(2)10-11-27(5)12-13-29(7)24-21-16-20-19(8-9-23(33-31)26(20,3)4)30(24,18-32-21)15-14-28(29,6)22(27)17-25/h16,19,21-24,31H,8-15,17-18H2,1-7H3 |
| InChI Key | KULQXGKKVLLNHL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 19-Hydroperoxy-4,7,7,10,13,18,18-heptamethyl-24-oxahexacyclo[13.7.2.01,14.04,13.05,10.017,22]tetracos-16-ene](https://plantaedb.com/storage/docs/compounds/2023/11/71c31950-85a1-11ee-8634-07ef3f075f79.jpg "2D Structure of 19-Hydroperoxy-4,7,7,10,13,18,18-heptamethyl-24-oxahexacyclo[13.7.2.01,14.04,13.05,10.017,22]tetracos-16-ene")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.94% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.64% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.72% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.68% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.21% | 90.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.86% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.79% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.01% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.74% | 95.56% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.57% | 94.78% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.58% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.55% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.81% | 91.03% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.65% | 98.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.33% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.41% | 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.
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| There are no matching plants. |
| PubChem | 74941482 |
| LOTUS | LTS0240402 |
| wikiData | Q105146217 |