Nigricanin
| Internal ID | b44cf0f8-d42b-4f5b-ab85-43becb8f0f92 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7,14-dihydroxy-10-methoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-3-one |
| SMILES (Canonical) | COC1C2=C3C4=C(C=CC(=C4O1)O)C(=O)OC3=C(C=C2)O |
| SMILES (Isomeric) | COC1C2=C3C4=C(C=CC(=C4O1)O)C(=O)OC3=C(C=C2)O |
| InChI | InChI=1S/C15H10O6/c1-19-15-7-3-5-8(16)12-11(7)10-6(14(18)20-12)2-4-9(17)13(10)21-15/h2-5,15-17H,1H3 |
| InChI Key | XTCYRFROIBWDPU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H10O6 |
| Molecular Weight | 286.24 g/mol |
| Exact Mass | 286.04773803 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 | 98.21% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.47% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.97% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.97% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.26% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.51% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.39% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.35% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.08% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.87% | 99.15% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.55% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.15% | 83.82% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.16% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.52% | 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.
| Iris nigricans |
| PubChem | 101733537 |
| LOTUS | LTS0200923 |
| wikiData | Q77506527 |