1,2,4,6-tetramethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
Internal ID | f6e8779a-3336-451d-be50-368a5245012f |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
IUPAC Name | 1,2,4,6-tetramethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one |
SMILES (Canonical) | COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C(=O)C5=C(O2)C(=CC(=C5OC)OC)OC |
SMILES (Isomeric) | COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O)C(=O)C5=C(O2)C(=CC(=C5OC)OC)OC |
InChI | InChI=1S/C28H34O16/c1-36-10-5-12-17(21(32)18-25(39-4)14(37-2)7-15(38-3)26(18)42-12)13(6-10)43-28-24(35)22(33)20(31)16(44-28)9-41-27-23(34)19(30)11(29)8-40-27/h5-7,11,16,19-20,22-24,27-31,33-35H,8-9H2,1-4H3/t11-,16-,19+,20-,22+,23-,24-,27+,28-/m1/s1 |
InChI Key | QASNJCYTCGCWBR-OMIZXETASA-N |
Popularity | 1 reference in papers |
Molecular Formula | C28H34O16 |
Molecular Weight | 626.60 g/mol |
Exact Mass | 626.18468499 g/mol |
Topological Polar Surface Area (TPSA) | 222.00 Ų |
XlogP | -1.40 |
There are no found synonyms. |
![2D Structure of 1,2,4,6-tetramethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one 2D Structure of 1,2,4,6-tetramethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/b5a74f60-82b8-11ee-834e-7bba2285717e.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.00% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.51% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.14% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.97% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.78% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.42% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 89.15% | 98.95% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.91% | 96.77% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.17% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.79% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.19% | 96.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.51% | 92.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.42% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.40% | 94.73% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.10% | 95.83% |
CHEMBL2535 | P11166 | Glucose transporter | 82.03% | 98.75% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.03% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 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.
Swertia kouitchensis |
PubChem | 71745141 |
LOTUS | LTS0195468 |
wikiData | Q105217578 |