Isofiliformine
| Internal ID | c56f129a-d496-40ef-9749-3aa6c35d6599 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3=C4C(=C(C5=C3C(=NC=C5)C2=O)OC)OCO4)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3=C4C(=C(C5=C3C(=NC=C5)C2=O)OC)OCO4)O |
| InChI | InChI=1S/C19H13NO6/c1-23-12-6-9-10(5-11(12)21)16(22)15-13-8(3-4-20-15)17(24-2)19-18(14(9)13)25-7-26-19/h3-6,21H,7H2,1-2H3 |
| InChI Key | WQASXWBMZSTCJF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H13NO6 |
| Molecular Weight | 351.30 g/mol |
| Exact Mass | 351.07428713 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 3.00 |
| CHEMBL403551 |
| 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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.02% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.56% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.88% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.55% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.69% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.68% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.09% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.23% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.36% | 82.67% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.75% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.64% | 98.95% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 90.62% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.48% | 99.23% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.53% | 95.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.90% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.34% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.32% | 94.45% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.02% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.38% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.39% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.94% | 100.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.61% | 96.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.36% | 93.99% |
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.
| Cassytha filiformis |
| PubChem | 135844959 |
| LOTUS | LTS0169909 |
| wikiData | Q105310300 |