Martynoside
Internal ID | b54d2ec0-9f1d-42de-8884-ea64888abd78 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-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)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O |
InChI | InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1 |
InChI Key | WLWAYPFRKDSFCL-CNMJWYMJSA-N |
Popularity | 16 references in papers |
Molecular Formula | C31H40O15 |
Molecular Weight | 652.60 g/mol |
Exact Mass | 652.23672056 g/mol |
Topological Polar Surface Area (TPSA) | 223.00 Ų |
XlogP | 0.10 |
67884-12-2 |
NSC 729643 |
[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
CHEMBL503531 |
SCHEMBL2158040 |
DTXSID70415748 |
HY-N3316 |
NSC729643 |
AKOS032948458 |
NSC-729643 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 99.41% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.21% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.72% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.74% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 95.34% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.70% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.59% | 89.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.55% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.35% | 94.73% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.25% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 85.73% | 98.95% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.89% | 97.36% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.25% | 95.56% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.28% | 95.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.90% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.78% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.29% | 95.89% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.21% | 80.78% |
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.
PubChem | 5319292 |
NPASS | NPC34927 |
ChEMBL | CHEMBL503531 |
LOTUS | LTS0105864 |
wikiData | Q72488260 |