methyl 2-[2-[1-(4-hydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-1H-indol-3-yl]-3-oxo-4H-cyclopenta[b]indole-1-carboxylate
| Internal ID | 70ef277e-8121-4bcf-9b02-331f632aca2c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | methyl 2-[2-[1-(4-hydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-1H-indol-3-yl]-3-oxo-4H-cyclopenta[b]indole-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H22N2O6/c1-38-30(36)20(15-16-11-13-17(34)14-12-16)27-23(18-7-3-5-9-21(18)32-27)25-26(31(37)39-2)24-19-8-4-6-10-22(19)33-28(24)29(25)35/h3-15,32-34H,1-2H3 |
| InChI Key | RBULROHCVWCNGA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H22N2O6 |
| Molecular Weight | 518.50 g/mol |
| Exact Mass | 518.14778643 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of methyl 2-[2-[1-(4-hydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-1H-indol-3-yl]-3-oxo-4H-cyclopenta[b]indole-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d8b26280-8679-11ee-8aa6-5fcfe817b0d0.jpg "2D Structure of methyl 2-[2-[1-(4-hydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]-1H-indol-3-yl]-3-oxo-4H-cyclopenta[b]indole-1-carboxylate")
| 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 | 98.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.37% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.32% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.93% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.35% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.34% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.86% | 89.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 90.40% | 92.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.68% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.55% | 94.45% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 87.32% | 81.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.97% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 86.64% | 89.76% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.46% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.37% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.90% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.75% | 98.59% |
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 | 72831517 |
| LOTUS | LTS0202681 |
| wikiData | Q104196449 |