2,5,7-trihydroxy-2-icosyl-3H-chromen-4-one
| Internal ID | 7db13589-e6f4-4580-9ceb-9e6b463b4e21 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 2,5,7-trihydroxy-2-icosyl-3H-chromen-4-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCC1(CC(=O)C2=C(C=C(C=C2O1)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCC1(CC(=O)C2=C(C=C(C=C2O1)O)O)O |
| InChI | InChI=1S/C29H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33)23-26(32)28-25(31)21-24(30)22-27(28)34-29/h21-22,30-31,33H,2-20,23H2,1H3 |
| InChI Key | MIOOAVYFDWMZAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O5 |
| Molecular Weight | 476.70 g/mol |
| Exact Mass | 476.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 11.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.37% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.75% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.21% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.22% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.20% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.03% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.77% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.16% | 92.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.95% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.82% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.71% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.34% | 98.03% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.87% | 82.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.22% | 94.73% |
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.
| Antidesma membranaceum |
| PubChem | 85765800 |
| LOTUS | LTS0237804 |
| wikiData | Q105165136 |