(1R,2R)-1,4,8,10-tetrahydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[3,2-a]xanthen-11-one
Internal ID | f6106f04-eb1f-4ebb-ad09-983cd8081e92 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
IUPAC Name | (1R,2R)-1,4,8,10-tetrahydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[3,2-a]xanthen-11-one |
SMILES (Canonical) | CC(C)(C1C(C2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O |
SMILES (Isomeric) | CC(C)([C@H]1[C@@H](C2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)O)O |
InChI | InChI=1S/C18H16O8/c1-18(2,24)17-15(23)13-12-10(5-8(21)16(13)26-17)25-9-4-6(19)3-7(20)11(9)14(12)22/h3-5,15,17,19-21,23-24H,1-2H3/t15-,17-/m1/s1 |
InChI Key | QJHHEMWYGFIDMW-NVXWUHKLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H16O8 |
Molecular Weight | 360.30 g/mol |
Exact Mass | 360.08451746 g/mol |
Topological Polar Surface Area (TPSA) | 137.00 Ų |
XlogP | 1.90 |
There are no found synonyms. |
![2D Structure of (1R,2R)-1,4,8,10-tetrahydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[3,2-a]xanthen-11-one 2D Structure of (1R,2R)-1,4,8,10-tetrahydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[3,2-a]xanthen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r-14810-tetrahydroxy-2-2-hydroxypropan-2-yl-12-dihydrofuro32-axanthen-11-one.jpg)
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 |
---|---|---|---|---|
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.37% | 89.00% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.80% | 96.12% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.30% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.31% | 94.73% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.37% | 99.23% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.45% | 93.65% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.01% | 94.00% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.89% | 95.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.01% | 86.33% |
CHEMBL3194 | P02766 | Transthyretin | 82.97% | 90.71% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.11% | 90.93% |
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.
Hypericum scabrum |
PubChem | 162980382 |
LOTUS | LTS0111420 |
wikiData | Q105222674 |