Peniroquesine B
| Internal ID | 7550eed9-b617-4f8d-83e2-6d33ff64b586 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | (1S,2R,3S,7S,9R,10S,13R,14S,17R)-4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.02,10.03,7.013,17]nonadec-11-en-9-ol |
| SMILES (Canonical) | CC1CCC2C1(C3=CC4(C(CC5(CCC(C5C4C3CC2)(C)C)C)O)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@@]1(C3=C[C@]4([C@@H](C[C@@]5(CCC([C@@H]5[C@H]4[C@@H]3CC2)(C)C)C)O)C)C |
| InChI | InChI=1S/C25H40O/c1-15-7-8-16-9-10-17-18(25(15,16)6)13-24(5)19(26)14-23(4)12-11-22(2,3)21(23)20(17)24/h13,15-17,19-21,26H,7-12,14H2,1-6H3/t15-,16+,17+,19+,20+,21-,23-,24-,25+/m0/s1 |
| InChI Key | YIPZSYQSAKRRRI-RECIUYGFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O |
| Molecular Weight | 356.60 g/mol |
| Exact Mass | 356.307915895 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.65% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.89% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.97% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.88% | 92.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.85% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.64% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.74% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.16% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.03% | 95.89% |
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 | 139591178 |
| LOTUS | LTS0129845 |
| wikiData | Q105348974 |