Armochaetoglobin D
| Internal ID | 306e9afb-97a0-4a45-8a53-96582fb32672 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 4-[(1aS,2R,2aR,5S,5aR,6S,6aR)-2-[(1E,5E)-4,6-dimethyl-7-oxohepta-1,5-dienyl]-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-2a-yl]-4-oxobutanoic acid |
| SMILES (Canonical) | CC1C2C(NC(=O)C2(C(C3C1(O3)C)C=CCC(C)C=C(C)C=O)C(=O)CCC(=O)O)CC4=CNC5=CC=CC=C54 |
| SMILES (Isomeric) | C[C@H]1[C@H]2[C@@H](NC(=O)[C@]2([C@H]([C@H]3[C@@]1(O3)C)/C=C/CC(C)/C=C(\C)/C=O)C(=O)CCC(=O)O)CC4=CNC5=CC=CC=C54 |
| InChI | InChI=1S/C32H38N2O6/c1-18(14-19(2)17-35)8-7-10-23-29-31(4,40-29)20(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-30(39)32(23,28)26(36)12-13-27(37)38/h5-7,9-11,14,16-18,20,23,25,28-29,33H,8,12-13,15H2,1-4H3,(H,34,39)(H,37,38)/b10-7+,19-14+/t18?,20-,23-,25-,28-,29-,31+,32+/m0/s1 |
| InChI Key | LIPZGVKJZMDGAP-SFEZYXITSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H38N2O6 |
| Molecular Weight | 546.70 g/mol |
| Exact Mass | 546.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 3.30 |
| CHEMBL3586367 |
| 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 | 99.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.99% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.01% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.98% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.87% | 94.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.65% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.44% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.05% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.92% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.13% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.07% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.22% | 83.82% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.20% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.53% | 90.08% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.86% | 83.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.55% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.95% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.01% | 92.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.99% | 94.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.97% | 94.75% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.49% | 95.00% |
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.
| There are no matching plants. |
| PubChem | 122180302 |
| LOTUS | LTS0235005 |
| wikiData | Q77509965 |