18-(2-Carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
| Internal ID | 10aae2db-b98d-41dc-944d-ef7c51e82d8d |
| Taxonomy | Organoheterocyclic compounds > Tetrapyrroles and derivatives > Chlorins |
| IUPAC Name | 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid |
| SMILES (Canonical) | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)C |
| SMILES (Isomeric) | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)C |
| InChI | InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44) |
| InChI Key | OYINILBBZAQBEV-UHFFFAOYSA-N |
| Popularity | 10 references in papers |
| Molecular Formula | C34H36N4O6 |
| Molecular Weight | 596.70 g/mol |
| Exact Mass | 596.26348488 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 4.60 |
| 19660-77-6 |
| 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid |
| 744956-10-3 |
| CHEMBL4166417 |
| SCHEMBL13360869 |
| SCHEMBL21124926 |
| A813861 |
| (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-7-ethyl-3,8,13,17-tetramethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.07% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.47% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.39% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.69% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.86% | 98.59% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.85% | 97.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.20% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.05% | 93.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.07% | 96.90% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.74% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.27% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.95% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.33% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.91% | 93.56% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 82.61% | 88.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.05% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.59% | 93.00% |
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.
| Beta vulgaris |
| PubChem | 5360596 |
| LOTUS | LTS0208399 |
| wikiData | Q105203335 |