Coralmycin D
| Internal ID | 3acad0e5-f48b-416f-9a80-f446242c1e7d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Anilides > Aromatic anilides > Benzanilides |
| IUPAC Name | 4-[[4-[[4-[[(2S,3R)-4-amino-2-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-3-methoxy-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H47N7O12/c1-23(2)64-35-22-28(46(61)62)12-20-33(35)51-44(59)32-19-21-34(38(37(32)54)65-24(3)4)52-42(57)26-8-17-31(18-9-26)50-45(60)36(39(63-5)40(48)55)53-43(58)27-10-15-30(16-11-27)49-41(56)25-6-13-29(47)14-7-25/h6-24,36,39,54H,47H2,1-5H3,(H2,48,55)(H,49,56)(H,50,60)(H,51,59)(H,52,57)(H,53,58)(H,61,62)/t36-,39+/m0/s1 |
| InChI Key | CEGRGTFQVOPKDR-YFXFWNCGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H47N7O12 |
| Molecular Weight | 889.90 g/mol |
| Exact Mass | 889.32826996 g/mol |
| Topological Polar Surface Area (TPSA) | 300.00 Ų |
| XlogP | 4.10 |
| 4-[[4-[[4-[[(2S,3R)-4-amino-2-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-3-methoxy-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid |
| 4-((4-((4-(((2S,3R)-4-amino-2-((4-((4-aminobenzoyl)amino)benzoyl)amino)-3-methoxy-4-oxobutanoyl)amino)benzoyl)amino)-2-hydroxy-3-propan-2-yloxybenzoyl)amino)-3-propan-2-yloxybenzoic acid |
| RefChem:127948 |
| CHEBI:206513 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.32% | 89.34% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 96.92% | 94.42% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 95.85% | 95.42% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 95.18% | 81.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.91% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.93% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.33% | 90.20% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.62% | 96.38% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 92.49% | 95.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.25% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.19% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.18% | 91.19% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.06% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.24% | 95.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.21% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.98% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.84% | 90.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.80% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.51% | 97.21% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 86.16% | 94.67% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.09% | 91.07% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.67% | 97.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.98% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.65% | 94.73% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.41% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.44% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.03% | 96.90% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.68% | 92.68% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.78% | 95.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.53% | 89.62% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146682693 |
| LOTUS | LTS0122379 |
| wikiData | Q104955653 |