Ammocidin C
| Internal ID | c3891920-b774-4398-8ca9-474408f5f7c8 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5Z,7E,13E,15E)-20-[1-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-5-methoxy-3,7,9,11,13,15,18-heptamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H86O17/c1-28-18-19-29(2)25-39(35(8)53(61)48(64-15)47(58)52(12,40(69-53)17-16-20-62-13)70-41-27-51(11,60)46(57)37(10)65-41)67-49(59)34(7)26-38(63-14)24-31(4)23-33(6)45(32(5)22-30(3)21-28)68-50-44(56)43(55)42(54)36(9)66-50/h18,21-24,26,29,33,35-37,39-48,50,54-58,60-61H,16-17,19-20,25,27H2,1-15H3/b28-18+,30-21+,31-23+,32-22?,34-26+,38-24- |
| InChI Key | WGKNNAFRSDRHJE-GCXABRJFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C53H86O17 |
| Molecular Weight | 995.20 g/mol |
| Exact Mass | 994.58650127 g/mol |
| Topological Polar Surface Area (TPSA) | 242.00 Ų |
| XlogP | 3.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.53% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.41% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.90% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.80% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.59% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.18% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.23% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.93% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.25% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.15% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.64% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.07% | 90.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.99% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.68% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.12% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.68% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.14% | 82.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.82% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.88% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.37% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.06% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.76% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.92% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.49% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.30% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.14% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.09% | 94.45% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.07% | 97.78% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.02% | 90.08% |
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 | 139584082 |
| LOTUS | LTS0148889 |
| wikiData | Q77279450 |