5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Internal ID | 8bb80703-5cde-4545-8d60-7683f37c10e9 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC(=C(C=C6)OC)O)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C)O)O)O)C6=CC(=C(C=C6)OC)O)O)O)O)O)O)O |
InChI | InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-15(36)7-13(51-33-28(45)25(42)21(38)11(2)50-33)8-17(19)52-30(31)12-4-5-16(47-3)14(35)6-12/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3/t10-,11+,18+,20-,21-,22-,24-,25-,26+,27+,28+,29+,32+,33-,34-/m0/s1 |
InChI Key | ODKLFPBKAZKEOV-FVYVXNKSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H42O20 |
Molecular Weight | 770.70 g/mol |
Exact Mass | 770.22694372 g/mol |
Topological Polar Surface Area (TPSA) | 313.00 Ų |
XlogP | -2.30 |
There are no found synonyms. |
![2D Structure of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 2D Structure of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/e5dae390-86df-11ee-8a25-efd966de83cf.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 | 98.60% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.73% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.50% | 91.49% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.25% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.91% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.56% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.49% | 99.17% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.57% | 95.78% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.38% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.32% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.82% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.83% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.96% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 83.58% | 90.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.47% | 95.89% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.22% | 86.92% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.04% | 90.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.51% | 97.36% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.03% | 95.53% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.12% | 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.
Senna italica subsp. italica |
PubChem | 163105336 |
LOTUS | LTS0140903 |
wikiData | Q105189889 |