3,3'-[8-Ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid
| Internal ID | 6596c15c-6d9d-4cf7-93e1-a25eba1ab59c |
| Taxonomy | Organoheterocyclic compounds > Tetrapyrroles and derivatives > Porphyrins |
| IUPAC Name | 3-[18-(2-carboxyethyl)-8-ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid |
| SMILES (Canonical) | CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C |
| SMILES (Isomeric) | CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C |
| InChI | InChI=1S/C34H38N4O5/c1-7-21-16(2)24-12-25-17(3)22(8-10-32(40)41)29(36-25)15-30-23(9-11-33(42)43)18(4)26(37-30)14-31-34(20(6)39)19(5)27(38-31)13-28(21)35-24/h12-15,20,35,38-39H,7-11H2,1-6H3,(H,40,41)(H,42,43) |
| InChI Key | JYLAITRQWJPNBC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H38N4O5 |
| Molecular Weight | 582.70 g/mol |
| Exact Mass | 582.28422033 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 3.40 |
| DTXSID40868984 |
| 3,3'-[8-Ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid |
![2D Structure of 3,3'-[8-Ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-2,18-diyl]dipropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/33-8-ethyl-13-1-hydroxyethyl-371217-tetramethylporphyrin-218-diyldipropanoic-acid.jpg "2D Structure of 3,3'-[8-Ethyl-13-(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-2,18-diyl]dipropanoic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.33% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.60% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.78% | 99.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.32% | 97.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.89% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.62% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.61% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.25% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.81% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.68% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.76% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.91% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.63% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.46% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.75% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.32% | 96.00% |
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.
| Hypericum perforatum |
| PubChem | 3086258 |
| LOTUS | LTS0140418 |
| wikiData | Q105137086 |