Flavosorbin
Internal ID | a726e169-ae3d-4c1a-bf8b-699c55611254 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | 6-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)OC)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
InChI | InChI=1S/C28H32O15/c1-10-25(42-28-23(36)21(34)19(32)17(9-29)41-28)22(35)24(37)27(39-10)43-26-16(38-2)8-15-18(20(26)33)13(31)7-14(40-15)11-3-5-12(30)6-4-11/h3-8,10,17,19,21-25,27-30,32-37H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,27-,28-/m0/s1 |
InChI Key | PAMXEQTZFGNGCU-FYNCRGIISA-N |
Popularity | 1 reference in papers |
Molecular Formula | C28H32O15 |
Molecular Weight | 608.50 g/mol |
Exact Mass | 608.17412031 g/mol |
Topological Polar Surface Area (TPSA) | 234.00 Ų |
XlogP | -0.30 |
There are no found synonyms. |
![2D Structure of Flavosorbin 2D Structure of Flavosorbin](https://plantaedb.com/storage/docs/compounds/2023/11/flavosorbin.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 | 99.48% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.35% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.68% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.99% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.93% | 86.33% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.14% | 96.21% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.27% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.61% | 95.89% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.80% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.87% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 85.20% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.93% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.84% | 96.09% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.80% | 95.78% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.93% | 90.71% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.96% | 95.64% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.77% | 99.15% |
CHEMBL220 | P22303 | Acetylcholinesterase | 80.32% | 94.45% |
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.
Sorbaria sorbifolia |
PubChem | 15596596 |
LOTUS | LTS0120752 |
wikiData | Q105204619 |