4a,7-Dihydroxy-3-(1-hydroxypropan-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione
| Internal ID | 50408dd3-2913-4bef-92cd-65c2ee15d37f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 4a,7-dihydroxy-3-(1-hydroxypropan-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione |
| SMILES (Canonical) | CC(CO)C1CCC2C(=O)C3=C(C=CC(=C3)O)OC2(C1=O)O |
| SMILES (Isomeric) | CC(CO)C1CCC2C(=O)C3=C(C=CC(=C3)O)OC2(C1=O)O |
| InChI | InChI=1S/C16H18O6/c1-8(7-17)10-3-4-12-14(19)11-6-9(18)2-5-13(11)22-16(12,21)15(10)20/h2,5-6,8,10,12,17-18,21H,3-4,7H2,1H3 |
| InChI Key | YNHPWMXJGUOPOK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.04% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.48% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.49% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.87% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.71% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.00% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.26% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.90% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.56% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.10% | 93.10% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.88% | 85.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.15% | 97.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.18% | 95.83% |
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.
| There are no matching plants. |
| PubChem | 162981030 |
| LOTUS | LTS0175958 |
| wikiData | Q104201871 |