17,17-Dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
| Internal ID | 4b8ac022-ae6b-48e8-bd7f-1e6d0095e0ac |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol |
| SMILES (Canonical) | CC1(C=CC2=CC3=C(C=C2O1)OCC4C3OC5=C4C=CC(=C5)O)C |
| SMILES (Isomeric) | CC1(C=CC2=CC3=C(C=C2O1)OCC4C3OC5=C4C=CC(=C5)O)C |
| InChI | InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-17(9-16(11)24-20)22-10-15-13-4-3-12(21)8-18(13)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3 |
| InChI Key | OGFFMQWYZCTXCM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 3.60 |
| LMPK12070021 |
![2D Structure of 17,17-Dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b1a4d840-874f-11ee-b06e-d780c71b963b.jpg "2D Structure of 17,17-Dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-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 | 97.58% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.83% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.22% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.22% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.81% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.61% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.11% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.94% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.28% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.53% | 93.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.42% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.06% | 95.93% |
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 abyssinica |
| Erythrina addisoniae |
| Erythrina burttii |
| Erythrina latissima |
| PubChem | 15382623 |
| LOTUS | LTS0047932 |
| wikiData | Q105191566 |