(2-Benzoyloxy-1,7-dihydroxy-1,2,9,9a-tetrahydroxanthen-4a-yl)methyl benzoate
| Internal ID | d5f610c1-22df-4c5f-b2db-a487a5c807ea |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (2-benzoyloxy-1,7-dihydroxy-1,2,9,9a-tetrahydroxanthen-4a-yl)methyl benzoate |
| SMILES (Canonical) | C1C2C(C(C=CC2(OC3=C1C=C(C=C3)O)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O |
| SMILES (Isomeric) | C1C2C(C(C=CC2(OC3=C1C=C(C=C3)O)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O |
| InChI | InChI=1S/C28H24O7/c29-21-11-12-23-20(15-21)16-22-25(30)24(34-27(32)19-9-5-2-6-10-19)13-14-28(22,35-23)17-33-26(31)18-7-3-1-4-8-18/h1-15,22,24-25,29-30H,16-17H2 |
| InChI Key | HWPZTWAKYXOVBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O7 |
| Molecular Weight | 472.50 g/mol |
| Exact Mass | 472.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.40 |
| 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 | 99.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.18% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.51% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.70% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.27% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.30% | 93.99% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.01% | 94.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.65% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.60% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.22% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.30% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.12% | 91.19% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.93% | 99.35% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.67% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.58% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.56% | 96.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.49% | 89.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.94% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.81% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.08% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.87% | 95.89% |
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.
| Uvaria hamiltonii |
| PubChem | 85227177 |
| LOTUS | LTS0272683 |
| wikiData | Q105034786 |