swertiabisxanthone-I
| Internal ID | 054f6e3f-b9f5-4f4e-9105-6c3866fc8ba2 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,3,5,8-tetrahydroxy-2-(1,4,6,8-tetrahydroxy-9-oxoxanthen-2-yl)xanthen-9-one |
| SMILES (Canonical) | C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3O)C4=CC(=C5C(=C4O)C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3O)C4=CC(=C5C(=C4O)C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O |
| InChI | InChI=1S/C26H14O12/c27-7-3-11(30)17-14(4-7)37-26-13(32)5-8(21(33)20(26)23(17)35)16-12(31)6-15-19(22(16)34)24(36)18-9(28)1-2-10(29)25(18)38-15/h1-6,27-34H |
| InChI Key | COINEBBLGOMOLL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H14O12 |
| Molecular Weight | 518.40 g/mol |
| Exact Mass | 518.04852588 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 3.90 |
| CHEMBL466542 |
| 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 | 98.98% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.61% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.03% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.03% | 96.12% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.51% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.76% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.60% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.10% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.05% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.26% | 98.35% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.70% | 99.23% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.35% | 98.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.50% | 90.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.39% | 96.21% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 85.33% | 83.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.13% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.68% | 86.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.06% | 85.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.58% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.28% | 94.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.57% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.56% | 93.65% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.43% | 80.78% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.09% | 80.00% |
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.
| Gentianella amarella |
| Swertia macrosperma |
| PubChem | 14539914 |
| LOTUS | LTS0066079 |
| wikiData | Q104967044 |