Naquihexcin H
| Internal ID | 0ae0b897-5c0a-4e1f-bf68-3b077e81ec6b |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
| IUPAC Name | (2R,3R,4R,5S,6R)-6-[[(1S,3S,4aS,10aR)-4a-[[(1S,3S,4aS,10aR)-9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulfanyl]-9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H42O21S/c1-14-39(54)33(50)24-18(6-5-7-20(24)41)31(48)37(39,12-16(58-14)10-22(42)56-3)62-38-13-17(11-23(43)57-4)59-15(2)40(38,55)34(51)25-19(32(38)49)8-9-21(26(25)44)60-36-29(47)27(45)28(46)30(61-36)35(52)53/h5-9,14-17,27-30,36,41,44-47,54-55H,10-13H2,1-4H3,(H,52,53)/t14-,15-,16-,17-,27+,28+,29-,30+,36-,37+,38+,39+,40+/m0/s1 |
| InChI Key | YKYYSFPTRCUBFI-MTMWHFOQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H42O21S |
| Molecular Weight | 890.80 g/mol |
| Exact Mass | 890.19392952 g/mol |
| Topological Polar Surface Area (TPSA) | 362.00 Ų |
| XlogP | 0.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.10% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.43% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.30% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.90% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.27% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.16% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.63% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.94% | 97.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.33% | 90.20% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.38% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.29% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.98% | 96.90% |
| CHEMBL5028 | O14672 | ADAM10 | 82.93% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.46% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.91% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.81% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.76% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.71% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.69% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.53% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.32% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 91.19% |
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 | 145721039 |
| LOTUS | LTS0098198 |
| wikiData | Q105349979 |