Chlorophyllonic acid a methyl ester
| Internal ID | 8fae4b07-2e77-4a36-abcc-8a5c719da82e |
| Taxonomy | Organoheterocyclic compounds > Tetrapyrroles and derivatives > Chlorins |
| IUPAC Name | methyl (7S,28S)-14-ethenyl-19-ethyl-3,4-dihydroxy-13,18,23,28-tetramethyl-9,25,26,27-tetrazahexacyclo[20.2.1.17,10.112,15.117,20.02,8]octacosa-1(25),2(8),3,9,11,13,15(27),16,18,20(26),21,23-dodecaene-24-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H34N4O4/c1-8-19-15(3)22-12-24-17(5)21-10-11-28(39)33(40)30(31(21)37-24)32-29(34(41)42-7)18(6)25(38-32)14-27-20(9-2)16(4)23(36-27)13-26(19)35-22/h8,12-14,17,21,39-40H,1,9-11H2,2-7H3/t17-,21-/m0/s1 |
| InChI Key | SIFIATCIZIUHQD-UWJYYQICSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C34H34N4O4 |
| Molecular Weight | 562.70 g/mol |
| Exact Mass | 562.25800558 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.90 |
| Chlorophyllonic acid a methyl ester |
| 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 | 96.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.06% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.31% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.13% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.48% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.67% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.90% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.85% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.36% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 135569031 |
| LOTUS | LTS0059946 |
| wikiData | Q104389202 |