Tephrosol
| Internal ID | 30683649-ced5-461a-934f-633a599eae27 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 16-hydroxy-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4O3)OCO5)C(=O)O2)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4O3)OCO5)C(=O)O2)O |
| InChI | InChI=1S/C17H10O7/c1-20-12-3-8-10(4-9(12)18)24-17(19)15-7-2-13-14(22-6-21-13)5-11(7)23-16(8)15/h2-5,18H,6H2,1H3 |
| InChI Key | BNMBLJAZXHNNMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H10O7 |
| Molecular Weight | 326.26 g/mol |
| Exact Mass | 326.04265265 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 2.90 |
| 3-Hydroxy-2-methoxy-8,9-methylenedioxycoumestan |
| CHEBI:196335 |
| LMPK12090034 |
| 16-hydroxy-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-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 | 99.34% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.96% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.29% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.37% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.07% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.09% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.04% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.25% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.80% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.05% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.79% | 99.17% |
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.
| Euchresta horsfieldii |
| Tephrosia villosa |
| PubChem | 14704585 |
| LOTUS | LTS0083953 |
| wikiData | Q104938886 |