Psoracorylifol B
| Internal ID | 45457d29-a87f-4eb2-8aea-92c7c827c7cf |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 4-[(1R,2S,5S,7R)-2-ethenyl-2-methyl-5-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H24O3/c1-5-17(4)10-11-18(12(2)3)20-15(16(17)21-18)13-6-8-14(19)9-7-13/h5-9,12,15-16,19H,1,10-11H2,2-4H3/t15-,16+,17-,18-/m1/s1 |
| InChI Key | BPUKUJAZQKFJAN-XMTFNYHQSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H24O3 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.20 |
| 879290-98-9 |
| RefChem:930209 |
| orb2279521 |
| CHEBI:213390 |
| AKOS040734163 |
| 4-[(1R,2S,5S,7R)-2-ethenyl-2-methyl-5-propan-2-yl-6,8-dioxabicyclo[3.2.1]octan-7-yl]phenol |
| 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 | 98.06% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.52% | 91.49% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.07% | 98.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.89% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.84% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.17% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.77% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.86% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.33% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.23% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.78% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.30% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.60% | 97.14% |
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.
| Cullen corylifolium |
| PubChem | 11694926 |
| LOTUS | LTS0241686 |
| wikiData | Q77560136 |