2-(Hydroxymethyl)-6-(6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yloxy)oxane-3,4,5-triol
| Internal ID | 58830d41-4c64-40f0-8e00-3e9dda653b5f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 2-(hydroxymethyl)-6-(6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yloxy)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=C2C=CC6=C5OCO6 |
| SMILES (Isomeric) | C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=C2C=CC6=C5OCO6 |
| InChI | InChI=1S/C22H22O10/c23-6-15-16(24)17(25)18(26)22(31-15)30-9-1-2-11-14(5-9)27-7-12-10-3-4-13-21(29-8-28-13)20(10)32-19(11)12/h1-5,12,15-19,22-26H,6-8H2 |
| InChI Key | FCRUGSNPZLERNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-(6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yloxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/cb665000-828e-11ee-b640-a9d82e3fc8d7.jpg "2D Structure of 2-(Hydroxymethyl)-6-(6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yloxy)oxane-3,4,5-triol")
| 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 | 98.85% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.39% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.53% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.45% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.32% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.96% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.15% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.11% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.20% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.61% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.90% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.64% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.61% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.76% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.46% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.13% | 95.83% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.54% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.86% | 89.00% |
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.
| Trifolium pratense |
| PubChem | 163029153 |
| LOTUS | LTS0274455 |
| wikiData | Q104993301 |