Spumigin 582a
Internal ID | 40516e9e-abb4-472f-874e-2e6592b71e17 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
IUPAC Name | N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide |
SMILES (Canonical) | C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O |
SMILES (Isomeric) | C1CC(N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O |
InChI | InChI=1S/C29H38N6O7/c30-29(31)32-13-1-3-20(17-36)33-26(40)24-4-2-14-35(24)28(42)23(15-18-5-9-21(37)10-6-18)34-27(41)25(39)16-19-7-11-22(38)12-8-19/h5-12,17,20,23-25,37-39H,1-4,13-16H2,(H,33,40)(H,34,41)(H4,30,31,32)/t20?,23-,24?,25+/m0/s1 |
InChI Key | NUDLACNKYRKLHR-DBMPWETRSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C29H38N6O7 |
Molecular Weight | 582.60 g/mol |
Exact Mass | 582.28019757 g/mol |
Topological Polar Surface Area (TPSA) | 221.00 Ų |
XlogP | 0.30 |
DTXSID401046956 |
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 | 99.19% | 98.95% |
CHEMBL3837 | P07711 | Cathepsin L | 99.09% | 96.61% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.85% | 96.09% |
CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.25% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.19% | 94.45% |
CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.00% | 98.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.58% | 91.11% |
CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 93.61% | 96.67% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.49% | 90.71% |
CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.47% | 97.64% |
CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.29% | 91.81% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.29% | 95.89% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 92.20% | 90.20% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.97% | 93.10% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.82% | 99.17% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.18% | 100.00% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.68% | 100.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.53% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.34% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.78% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.63% | 95.56% |
CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 89.22% | 83.14% |
CHEMBL4123 | P30989 | Neurotensin receptor 1 | 88.35% | 96.67% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.35% | 90.00% |
CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.94% | 94.66% |
CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 87.62% | 96.03% |
CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 87.21% | 98.24% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.96% | 100.00% |
CHEMBL204 | P00734 | Thrombin | 85.92% | 96.01% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.61% | 93.56% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.28% | 93.00% |
CHEMBL2535 | P11166 | Glucose transporter | 83.33% | 98.75% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.75% | 95.38% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.38% | 82.69% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.81% | 83.10% |
CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.25% | 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.
Capsicum annuum |
PubChem | 146684837 |
LOTUS | LTS0144679 |
wikiData | Q105350642 |