(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-15-ol
| Internal ID | 736ff00d-2fe2-4db8-9287-f065d708ddd6 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-15-ol |
| SMILES (Canonical) | C1C2C(C3=C(O1)C=CC(=C3)O)OC4=CC5=C(C=C24)OCO5 |
| SMILES (Isomeric) | C1[C@@H]2[C@H](C3=C(O1)C=CC(=C3)O)OC4=CC5=C(C=C24)OCO5 |
| InChI | InChI=1S/C16H12O5/c17-8-1-2-12-10(3-8)16-11(6-18-12)9-4-14-15(20-7-19-14)5-13(9)21-16/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1 |
| InChI Key | HJZIUUTWDFVGOK-ZBEGNZNMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12O5 |
| Molecular Weight | 284.26 g/mol |
| Exact Mass | 284.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-15-ol](https://plantaedb.com/storage/docs/compounds/2023/11/893ba4d0-8556-11ee-aa84-096eee025bbf.jpg "2D Structure of (1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-15-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 | 98.37% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.14% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.76% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.56% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.21% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.21% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.81% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.69% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.34% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.82% | 82.67% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.66% | 93.24% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.59% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.56% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.07% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.69% | 95.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.48% | 98.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.48% | 96.09% |
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.
| Neorautanenia mitis |
| PubChem | 44575281 |
| LOTUS | LTS0169399 |
| wikiData | Q105029544 |