(E,4R,6S,7S)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid
| Internal ID | 15b50bec-7d23-4d5e-92cd-4638a821d6e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (E,4R,6S,7S)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid |
| SMILES (Canonical) | CC(=CC(CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O)O)C(=O)O |
| SMILES (Isomeric) | C/C(=C\[C@@H](C[C@@](C)([C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O)O)/C(=O)O |
| InChI | InChI=1S/C21H22O9/c1-11(20(25)26)7-12(22)9-21(2,27)17(23)10-29-19-13-3-4-18(24)30-16(13)8-15-14(19)5-6-28-15/h3-8,12,17,22-23,27H,9-10H2,1-2H3,(H,25,26)/b11-7+/t12-,17-,21-/m0/s1 |
| InChI Key | WYBYWLAOBATXAF-GRIUISKZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O9 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (E,4R,6S,7S)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e4r6s7s-467-trihydroxy-26-dimethyl-8-7-oxofuro32-gchromen-4-yloxyoct-2-enoic-acid.jpg "2D Structure of (E,4R,6S,7S)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid")
| 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 | 99.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.76% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.96% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.12% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.27% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.63% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.02% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.29% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.23% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.10% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.96% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.78% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.77% | 89.62% |
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.
| Citrus lucida |
| PubChem | 101852052 |
| LOTUS | LTS0213920 |
| wikiData | Q105322050 |