Grincamycin C
| Internal ID | 6ff5c95a-a200-4d6d-8548-55e1ed028657 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H44O14/c1-16-23(38)9-11-28(48-16)50-25-10-12-29(49-17(25)2)51-36-18(3)47-26(13-24(36)39)20-7-8-22-31(33(20)43)35(45)21-6-5-19(32(42)30(21)34(22)44)14-37(4,46)15-27(40)41/h5-8,16-18,24-26,28-29,36,39,42-43,46H,9-15H2,1-4H3,(H,40,41)/t16-,17-,18+,24+,25-,26+,28-,29-,36+,37+/m0/s1 |
| InChI Key | AWLGEFWKPFTPQO-SRLSEHIVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C37H44O14 |
| Molecular Weight | 712.70 g/mol |
| Exact Mass | 712.27310607 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 3.30 |
| CHEMBL2011811 |
| 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 | 99.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.52% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.38% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.82% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.95% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.96% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.80% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.61% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 89.99% | 97.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.91% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.88% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.45% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.37% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.47% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.38% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.25% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.61% | 94.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.37% | 91.49% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.26% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.38% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 57332650 |
| LOTUS | LTS0025055 |
| wikiData | Q77495622 |