3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl 2-(1H-indol-3-yl)acetate
| Internal ID | 9923d9c3-4429-4787-a260-a1757bab4efc |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives > Indole-3-acetic acid derivatives |
| IUPAC Name | 3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl 2-(1H-indol-3-yl)acetate |
| SMILES (Canonical) | CCCCCCCC=CC(C#CC#CC(C=C)O)OC(=O)CC1=CNC2=CC=CC=C21 |
| SMILES (Isomeric) | CCCCCCCC=CC(C#CC#CC(C=C)O)OC(=O)CC1=CNC2=CC=CC=C21 |
| InChI | InChI=1S/C27H31NO3/c1-3-5-6-7-8-9-10-16-24(17-12-11-15-23(29)4-2)31-27(30)20-22-21-28-26-19-14-13-18-25(22)26/h4,10,13-14,16,18-19,21,23-24,28-29H,2-3,5-9,20H2,1H3 |
| InChI Key | PCBVETCLGQWQIE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H31NO3 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.23039385 g/mol |
| Topological Polar Surface Area (TPSA) | 62.30 Ų |
| XlogP | 6.60 |
| 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 | 99.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.50% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.26% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.74% | 91.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.79% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.29% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.72% | 97.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.70% | 94.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.42% | 94.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.37% | 97.79% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.30% | 88.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.88% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.40% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.29% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.19% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.18% | 90.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.35% | 87.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.81% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.64% | 98.75% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 84.46% | 95.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.29% | 89.63% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.91% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.39% | 96.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.22% | 85.94% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.94% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.14% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.81% | 100.00% |
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.
| Hedera rhombea |
| PubChem | 73319254 |
| LOTUS | LTS0159484 |
| wikiData | Q105205596 |