2-Carbomethoxy-3-prenyl-1,4-naphthohydroquinone-di-O-beta-D-glucoside
| Internal ID | 85906993-1dad-43c6-90ae-fbb9cbee2802 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | methyl 3-(3-methylbut-2-enyl)-1,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]naphthalene-2-carboxylate |
| SMILES (Canonical) | CC(=CCC1=C(C2=CC=CC=C2C(=C1C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=CC=CC=C2C(=C1C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)C |
| InChI | InChI=1S/C29H38O14/c1-12(2)8-9-15-18(27(38)39-3)26(43-29-24(37)22(35)20(33)17(11-31)41-29)14-7-5-4-6-13(14)25(15)42-28-23(36)21(34)19(32)16(10-30)40-28/h4-8,16-17,19-24,28-37H,9-11H2,1-3H3 |
| InChI Key | OZDABLANSWPSGY-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C29H38O14 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.22615588 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | 0.60 |
| ACon0_000917 |
| NCGC00380876-01 |
| FT-0775902 |
| NCGC00380876-01_C29H38O14_Methyl 1,4-bis(beta-D-glucopyranosyloxy)-3-(3-methyl-2-buten-1-yl)-2-naphthoate |
| 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 | 99.37% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.85% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.59% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.51% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.42% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.27% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.29% | 97.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.20% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.83% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.51% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.25% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.18% | 99.23% |
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.
| Galium mollugo |
| Wollastonia biflora |
| PubChem | 14539974 |
| LOTUS | LTS0116487 |
| wikiData | Q105203693 |