Peneciraistin F
| Internal ID | 3918a60a-daa7-421d-915e-33425f0d89ad |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxylic acids |
| IUPAC Name | (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(16(19)20)13-5-3-4-6-14(13)18-15(17)22-2/h3-10,15,18H,1-2H3,(H,19,20)/t15-,17-/m1/s1 |
| InChI Key | ONRNIIUHIVOZHT-NVXWUHKLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H17NO4 |
| Molecular Weight | 299.32 g/mol |
| Exact Mass | 299.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 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 | 97.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.73% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.21% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.84% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.48% | 94.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.76% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.34% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.96% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.96% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.88% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.80% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.03% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.78% | 98.95% |
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.
| There are no matching plants. |
| PubChem | 57342093 |
| LOTUS | LTS0110584 |
| wikiData | Q77571519 |