Aristololactam GII
| Internal ID | 6c2f3c37-3e3e-48c5-96f6-556333825c60 |
| Taxonomy | Alkaloids and derivatives > Aristolactams |
| IUPAC Name | 4,15-dihydroxy-14-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| SMILES (Canonical) | COC1=C(C2=C3C=C(C=CC3=CC4=C2C(=C1)C(=O)N4)O)O |
| SMILES (Isomeric) | COC1=C(C2=C3C=C(C=CC3=CC4=C2C(=C1)C(=O)N4)O)O |
| InChI | InChI=1S/C16H11NO4/c1-21-12-6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15(12)19/h2-6,18-19H,1H3,(H,17,20) |
| InChI Key | DHCQMPACRKPGAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H11NO4 |
| Molecular Weight | 281.26 g/mol |
| Exact Mass | 281.06880783 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 2.60 |
| 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 | 98.45% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.92% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.07% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.49% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.45% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.73% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.01% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.53% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.43% | 89.62% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.46% | 94.42% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.27% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.16% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.76% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.50% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.21% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.89% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.86% | 95.56% |
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.
| Annona squamosa |