20-(Hydroxymethyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol
| Internal ID | 9845e6b5-8781-4989-b7f6-028cf5cb35fc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 20-(hydroxymethyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H12O6/c18-6-15-16-10-4-13-14(21-7-20-13)5-12(10)23-17(16)9-2-1-8(19)3-11(9)22-15/h1-5,15,18-19H,6-7H2 |
| InChI Key | DZUOHNCFUWDWBB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 81.30 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 20-(Hydroxymethyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/a2981bf0-8643-11ee-8fd4-b7df854fe7c0.jpg "2D Structure of 20-(Hydroxymethyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol")
| 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 | 98.99% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.24% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.47% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.94% | 98.35% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.66% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.06% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.43% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.34% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.43% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.37% | 95.56% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.58% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.65% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.23% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.11% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.19% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.18% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.68% | 82.67% |
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.
| Andira inermis |
| PubChem | 163103928 |
| LOTUS | LTS0078919 |
| wikiData | Q104992038 |