(1R,7R,12R)-7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
| Internal ID | d5b74ea9-828b-4a40-a470-a1be7c4f2b8b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1R,7R,12R)-7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)O |
| SMILES (Isomeric) | CC(C)([C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4[C@H]3COC5=C4C=CC(=C5)O)O |
| InChI | InChI=1S/C20H20O5/c1-20(2,22)17-8-13-15(24-17)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)25-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3/t14-,17+,19-/m0/s1 |
| InChI Key | XUQIOELPHLDMNQ-YJLNNSPDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1R,7R,12R)-7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8c3bd8b0-8612-11ee-bb58-a7b6308b11a8.jpg "2D Structure of (1R,7R,12R)-7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-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 | 98.40% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.04% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.08% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.08% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.90% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.50% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.21% | 94.45% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.65% | 98.35% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.16% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.09% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.97% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.70% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.40% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.70% | 93.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.65% | 90.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.78% | 97.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.77% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.44% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.43% | 98.75% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.01% | 97.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.52% | 97.33% |
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.
| Erythrina crista-galli |
| Erythrina lysistemon |
| PubChem | 162954458 |
| LOTUS | LTS0061490 |
| wikiData | Q105342515 |