[5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | 4b43514a-7a91-4200-8277-bdcc693edafc |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | [5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)OC)O)O)O)O)O |
InChI | InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3 |
InChI Key | FXFHFOSEURHWMO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H50O20 |
Molecular Weight | 814.80 g/mol |
Exact Mass | 814.28954398 g/mol |
Topological Polar Surface Area (TPSA) | 302.00 Ų |
XlogP | -1.40 |
There are no found synonyms. |
![2D Structure of [5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 2D Structure of [5-Hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/369f2840-8669-11ee-bf85-d1e6352e11e9.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 | 99.47% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.48% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.29% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.35% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 95.26% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.47% | 89.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.34% | 86.92% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.63% | 91.49% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.74% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 86.78% | 98.95% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.13% | 97.36% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.47% | 96.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.47% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.62% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.40% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.86% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.84% | 94.45% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.35% | 80.78% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 80.30% | 90.20% |
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.
Lamium purpureum |
Linaria japonica |
Marrubium velutinum |
Phlomis brunneogaleata |
Verbascum thapsus |
PubChem | 4484590 |
LOTUS | LTS0152123 |
wikiData | Q105003881 |