Pyrodysinoic acid
| Internal ID | 9b64793b-4afc-484f-a96f-041e847c43e4 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives |
| IUPAC Name | 2-(6,9,9-trimethyl-2-oxo-4,4a,7,8,8a,9a-hexahydrobenzo[f]indol-1-yl)acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H23NO3/c1-10-4-5-13-11(6-10)7-12-8-14(19)18(9-15(20)21)16(12)17(13,2)3/h6,8,11,13,16H,4-5,7,9H2,1-3H3,(H,20,21) |
| InChI Key | VYQPVVNDUJVMSE-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H23NO3 |
| Molecular Weight | 289.40 g/mol |
| Exact Mass | 289.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 57.60 Ų |
| XlogP | 1.90 |
| 2-(6,9,9-trimethyl-2-oxo-4,4a,7,8,8a,9a-hexahydrobenzo[f]indol-1-yl)acetic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.41% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.72% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.14% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.25% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.97% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.58% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.42% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.02% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.66% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.28% | 93.03% |
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.
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| There are no matching plants. |
| PubChem | 11833109 |
| LOTUS | LTS0082805 |
| wikiData | Q104401046 |