sinensol E
| Internal ID | f51d6762-21e0-4c14-84e4-763f3cb15c1b |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 6-[(4-hydroxyphenyl)methyl]-2-(2-hydroxypropan-2-yl)-7-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-9-ol |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=CC3=C2CCC4=C3C(=CC(=C4CC5=CC=C(C=C5)O)OC)O)O |
| SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C=CC3=C2CCC4=C3C(=CC(=C4CC5=CC=C(C=C5)O)OC)O)O |
| InChI | InChI=1S/C27H28O5/c1-27(2,30)25-13-21-17-8-9-19-20(12-15-4-6-16(28)7-5-15)24(31-3)14-22(29)26(19)18(17)10-11-23(21)32-25/h4-7,10-11,14,25,28-30H,8-9,12-13H2,1-3H3 |
| InChI Key | OCGQQYGGYOKOMB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H28O5 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 5.00 |
| CHEMBL470027 |
| 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 | 98.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.27% | 95.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 93.67% | 95.78% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 93.57% | 98.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.45% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.17% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.04% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.05% | 86.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.66% | 95.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.06% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.50% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 88.09% | 90.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.63% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.02% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.67% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.27% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.47% | 92.62% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.34% | 97.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.10% | 90.93% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.40% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.87% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.83% | 91.49% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.80% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.68% | 95.53% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.20% | 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.
To see more specific details click the taxa you are interested in.
| Spiranthes sinensis |
| Spiranthes vernalis |
| PubChem | 11796980 |
| LOTUS | LTS0191250 |
| wikiData | Q105189349 |