(1R,12R)-15,16,17-trimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
| Internal ID | c9202b96-c63e-4880-82db-b5f6b0768316 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1R,12R)-15,16,17-trimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5)OC)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)[C@H]3[C@@H](CO2)C4=CC5=C(C=C4O3)OCO5)OC)OC |
| InChI | InChI=1S/C19H18O7/c1-20-15-5-10-16-11(7-23-17(10)19(22-3)18(15)21-2)9-4-13-14(25-8-24-13)6-12(9)26-16/h4-6,11,16H,7-8H2,1-3H3/t11-,16-/m0/s1 |
| InChI Key | WKTSZGRTOFXXAS-ZBEGNZNMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1R,12R)-15,16,17-trimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/9866db20-838b-11ee-a903-314d103e9bb7.jpg "2D Structure of (1R,12R)-15,16,17-trimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene")
| 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 | 95.46% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.85% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.22% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.24% | 82.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.44% | 94.80% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.89% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.70% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.85% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.22% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.05% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.01% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.95% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.55% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.33% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.26% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.09% | 80.96% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.98% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.06% | 94.00% |
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.
| Ulex parviflorus |
| PubChem | 10784608 |
| LOTUS | LTS0108224 |
| wikiData | Q105307684 |