17,18-Dimethoxy-6-prop-1-en-2-yl-2,7,14,21-tetraoxapentacyclo[11.9.0.03,11.04,8.015,20]docosa-1(13),3(11),4(8),9,15,17,19-heptaen-12-one
| Internal ID | edc703b4-fec5-415a-b705-8c4653fbc9bc |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 17,18-dimethoxy-6-prop-1-en-2-yl-2,7,14,21-tetraoxapentacyclo[11.9.0.03,11.04,8.015,20]docosa-1(13),3(11),4(8),9,15,17,19-heptaen-12-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)OC5=CC(=C(C=C5OC4)OC)OC |
| SMILES (Isomeric) | CC(=C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)OC5=CC(=C(C=C5OC4)OC)OC |
| InChI | InChI=1S/C23H20O7/c1-11(2)15-7-13-14(28-15)6-5-12-21(24)23-20(30-22(12)13)10-27-18-8-16(25-3)17(26-4)9-19(18)29-23/h5-6,8-9,15H,1,7,10H2,2-4H3 |
| InChI Key | OWIGAXHPCXOLFN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H20O7 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 72.50 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 17,18-Dimethoxy-6-prop-1-en-2-yl-2,7,14,21-tetraoxapentacyclo[11.9.0.03,11.04,8.015,20]docosa-1(13),3(11),4(8),9,15,17,19-heptaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/9fc2de60-83ff-11ee-a955-b1365deb1709.jpg "2D Structure of 17,18-Dimethoxy-6-prop-1-en-2-yl-2,7,14,21-tetraoxapentacyclo[11.9.0.03,11.04,8.015,20]docosa-1(13),3(11),4(8),9,15,17,19-heptaen-12-one")
| 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 | 98.01% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.36% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.47% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.10% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.45% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.13% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.15% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.90% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.90% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.76% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.71% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.59% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.50% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.72% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.54% | 96.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.94% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.82% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.43% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.39% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 21610059 |
| LOTUS | LTS0175103 |
| wikiData | Q105202025 |