Pestalospirane A
| Internal ID | ff392521-9b87-4434-96e5-b96e21b9c7e3 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | |
| SMILES (Canonical) | CC1C2(C=CC3=C(CO2)C(=CC=C3)O)OC(C4(O1)C=CC5=C(CO4)C(=CC=C5)O)C |
| SMILES (Isomeric) | C[C@@H]1[C@@]2(C=CC3=C(CO2)C(=CC=C3)O)O[C@@H]([C@@]4(O1)C=CC5=C(CO4)C(=CC=C5)O)C |
| InChI | InChI=1S/C24H24O6/c1-15-23(11-9-17-5-3-7-21(25)19(17)13-27-23)30-16(2)24(29-15)12-10-18-6-4-8-22(26)20(18)14-28-24/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-,23-,24+/m1/s1 |
| InChI Key | GWADQOOKXMSEMY-TVKIDPOGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H24O6 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 3.20 |
| CHEBI:69698 |
| Q27138040 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.17% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 97.66% | 89.76% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.13% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.09% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.28% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.89% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.80% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.67% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.86% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.32% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.90% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.55% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.31% | 85.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.17% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.59% | 94.73% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 80.11% | 81.29% |
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.
| There are no matching plants. |
| PubChem | 56600681 |
| LOTUS | LTS0090927 |
| wikiData | Q27138040 |