Albogrisin D'
| Internal ID | b00a14cc-4df5-4997-a4f5-468bc5adf80d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | methyl (4S)-4-[[(1R,2R,3aR)-9b-hydroxy-1-methoxy-3-methyl-2-(methylcarbamoyl)-4-oxo-2,5-dihydro-1H-pyrrolo[2,3-c]quinoline-3a-carbonyl]amino]-7-methyl-5-oxooct-6-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34N4O8/c1-14(2)13-18(31)17(11-12-19(32)37-5)29-24(35)25-23(34)28-16-10-8-7-9-15(16)26(25,36)21(38-6)20(30(25)4)22(33)27-3/h7-10,13,17,20-21,36H,11-12H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)/t17-,20+,21+,25-,26?/m0/s1 |
| InChI Key | DTBLOQZNNCMCCJ-DWBLKSQLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H34N4O8 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.23766406 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 | 99.31% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.23% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.59% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.59% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.02% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.64% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.46% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.09% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.37% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.66% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.35% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.06% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.04% | 86.33% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 82.75% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.94% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.91% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.27% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.03% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.66% | 99.23% |
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 | 146683278 |
| LOTUS | LTS0061096 |
| wikiData | Q104988170 |