Pseudolarolide F
| Internal ID | 081667a7-d4bf-4880-8770-812758a41997 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (3'R,4R,6R,10R)-1-hydroxy-3',4,6,12,17,17-hexamethylspiro[9,18,24-trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa-20,22-diene-8,5'-oxolane]-2',19-dione |
| SMILES (Canonical) | CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC5(C=C6C(CCCC4(C3)C)C(OC(=O)C=C6O5)(C)C)O)C |
| SMILES (Isomeric) | C[C@@H]1CC2(C[C@H](C(=O)O2)C)O[C@H]3C1[C@]4(CCC5(C=C6C(CCCC4(C3)C)C(OC(=O)C=C6O5)(C)C)O)C |
| InChI | InChI=1S/C30H42O7/c1-17-13-30(14-18(2)25(32)37-30)35-22-16-27(5)9-7-8-20-19-15-29(33,11-10-28(27,6)24(17)22)34-21(19)12-23(31)36-26(20,3)4/h12,15,17-18,20,22,24,33H,7-11,13-14,16H2,1-6H3/t17-,18-,20?,22-,24?,27?,28-,29?,30?/m1/s1 |
| InChI Key | CGCRMQVWDAOCHS-FMDZHGMKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42O7 |
| Molecular Weight | 514.60 g/mol |
| Exact Mass | 514.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 4.90 |
| NSC630840 |
| NSC-630840 |
| NCI60_010050 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.80% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.22% | 92.51% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.01% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.27% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.76% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.73% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.43% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.26% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.23% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.50% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.41% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.17% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.07% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.47% | 96.61% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.27% | 94.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.06% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.95% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.84% | 92.50% |
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.
| Larix kaempferi |
| Salvia divinorum |
| PubChem | 6711553 |
| LOTUS | LTS0092859 |
| wikiData | Q104399396 |