CID 25243040
| Internal ID | df0b7df0-e76f-405c-a374-8f40d53552a3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 10-hydroxy-6,6-dimethyl-5,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4(9),10,15,17(21),22-heptaen-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H16O7/c1-21(2)4-3-9-13(28-21)6-11-18-16(20(23)27-19(11)17(9)22)10-5-14-15(25-8-24-14)7-12(10)26-18/h5-7,22H,3-4,8H2,1-2H3 |
| InChI Key | CRYRNGYGSBBFAR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H16O7 |
| Molecular Weight | 380.30 g/mol |
| Exact Mass | 380.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 3.90 |
| LMPK12090003 |
| 10-hydroxy-6,6-dimethyl-5,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4(9),10,15,17(21),22-heptaen-13-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 | 99.86% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.20% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.87% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.98% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.65% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.60% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.63% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.92% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.08% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.29% | 94.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.79% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.20% | 94.73% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.23% | 85.00% |
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.
| Tephrosia calophylla |
| PubChem | 25243040 |
| LOTUS | LTS0066808 |
| wikiData | Q104400397 |