(1S,6R,13S)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol
| Internal ID | 798a25dd-68ed-4205-8fcb-79ae646cefbb |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1S,6R,13S)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol |
| SMILES (Canonical) | CC(=C)C1CC2=CC3=C(C=C2O1)OCC4C3OC5=C4C=CC(=C5O)OC |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=CC3=C(C=C2O1)OC[C@H]4[C@@H]3OC5=C4C=CC(=C5O)OC |
| InChI | InChI=1S/C21H20O5/c1-10(2)16-7-11-6-13-18(8-17(11)25-16)24-9-14-12-4-5-15(23-3)19(22)21(12)26-20(13)14/h4-6,8,14,16,20,22H,1,7,9H2,2-3H3/t14-,16-,20-/m1/s1 |
| InChI Key | IJYFCLZEBZPQIZ-AKCHCHLHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S,6R,13S)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-ol](https://plantaedb.com/storage/docs/compounds/2023/11/dfc44c30-8373-11ee-8dcd-37b2d8c9a92e.jpg "2D Structure of (1S,6R,13S)-17-methoxy-6-prop-1-en-2-yl-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,8,14(19),15,17-hexaen-18-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 | 98.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.70% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.53% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.21% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.07% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.45% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.86% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.65% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 86.38% | 89.76% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.16% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.80% | 97.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.54% | 89.62% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.05% | 96.39% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.99% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.76% | 94.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.65% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.90% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.70% | 94.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.65% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.89% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.59% | 97.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.14% | 91.00% |
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.
| Pongamiopsis pervilleana |
| PubChem | 46939888 |
| LOTUS | LTS0160959 |
| wikiData | Q105114221 |