microcyclamide GL546A
| Internal ID | c7b51ed4-ecbc-4330-a9e6-d123c922cd99 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 2-[(4S,11S,18R)-11-[(2S)-butan-2-yl]-4,7-dimethyl-2,9,16-trioxo-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-18-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26N6O6S2/c1-5-9(2)16-23-27-14(8-37-23)19(33)25-12(6-15(30)31)22-26-13(7-36-22)18(32)24-10(3)21-29-17(11(4)35-21)20(34)28-16/h7-10,12,16H,5-6H2,1-4H3,(H,24,32)(H,25,33)(H,28,34)(H,30,31)/t9-,10-,12+,16-/m0/s1 |
| InChI Key | SWMDBTHOKJGFQB-XQDRIVNHSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H26N6O6S2 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.13552492 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 2.00 |
| DTXSID001334478 |
| 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 | 96.50% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.49% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.35% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.43% | 81.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.06% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.57% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.39% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.88% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.35% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.14% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.94% | 93.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.11% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.84% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.48% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.30% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.06% | 90.71% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 80.83% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.30% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.28% | 99.15% |
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 | 46197156 |
| LOTUS | LTS0215356 |
| wikiData | Q77492781 |