17,18-Dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione
| Internal ID | 6357c801-d859-4dee-88a8-62449d5b2d75 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids |
| IUPAC Name | 17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=O)OC)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=O)OC)OC)C |
| InChI | InChI=1S/C23H18O7/c1-23(2)8-7-11-14(30-23)6-5-12-19(24)18-13-9-16(26-3)17(27-4)10-15(13)28-22(25)21(18)29-20(11)12/h5-10H,1-4H3 |
| InChI Key | NWWVDLRRSGQBKO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H18O7 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 17,18-Dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5790fcf0-859d-11ee-a0bc-8faaa62d85e8.jpg "2D Structure of 17,18-Dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione")
| 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 | 98.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.88% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.20% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.36% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.68% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.36% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.90% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.69% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.46% | 98.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.08% | 96.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.04% | 93.31% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.46% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.37% | 97.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.29% | 89.62% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.23% | 95.53% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.11% | 95.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.47% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.58% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.19% | 92.62% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.02% | 94.03% |
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.
| Millettia duchesnei |
| PubChem | 135019234 |
| LOTUS | LTS0192466 |
| wikiData | Q105186845 |