7-[3,7-Dimethyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one
| Internal ID | 7fe00902-2180-4abd-981a-05e162fe3767 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 7-[3,7-dimethyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCOC3=C(C=C4C=CC(=O)OC4=C3)OC)C)C)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCOC3=C(C=C4C=CC(=O)OC4=C3)OC)C)C)O)O)O)O)O)O |
| InChI | InChI=1S/C32H44O14/c1-16(10-11-41-22-13-20-19(12-21(22)40-4)8-9-24(33)45-20)6-5-7-17(2)14-42-32-30(39)28(37)26(35)23(46-32)15-43-31-29(38)27(36)25(34)18(3)44-31/h7-10,12-13,18,23,25-32,34-39H,5-6,11,14-15H2,1-4H3 |
| InChI Key | RTWCTRFVACGXAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O14 |
| Molecular Weight | 652.70 g/mol |
| Exact Mass | 652.27310607 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 7-[3,7-Dimethyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4e451470-8767-11ee-bdaa-5792d4e5270a.jpg "2D Structure of 7-[3,7-Dimethyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one")
| 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 | 98.26% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.19% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.73% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.99% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.27% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.51% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.09% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.00% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.98% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.95% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.96% | 92.08% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.56% | 94.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.89% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.82% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.23% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.92% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.28% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.26% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.99% | 89.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.10% | 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.
| Coptis trifolia |
| PubChem | 163009912 |
| LOTUS | LTS0195220 |
| wikiData | Q105245462 |