Scorzocreticoside II
| Internal ID | dbdf5581-52f7-48ca-ad72-0db18c6672ea |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (3S)-6-hydroxy-3-(4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=CC4=C3C(=O)OC(C4)C5=CC=C(C=C5)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=CC(=CC4=C3C(=O)O[C@@H](C4)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
| InChI | InChI=1S/C28H34O14/c1-11-20(30)22(32)24(34)27(39-11)38-10-18-21(31)23(33)25(35)28(42-18)41-17-9-14(29)7-13-8-16(40-26(36)19(13)17)12-3-5-15(37-2)6-4-12/h3-7,9,11,16,18,20-25,27-35H,8,10H2,1-2H3/t11-,16-,18+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1 |
| InChI Key | ZJIHCERYVFDLJQ-GPJAHHJESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H34O14 |
| Molecular Weight | 594.60 g/mol |
| Exact Mass | 594.19485575 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -0.90 |
| (3S)-6-hydroxy-3-(4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one |
| 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 | 99.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.06% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.96% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.66% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.38% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.02% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.96% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.59% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.41% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.34% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.01% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.08% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.11% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.73% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.45% | 95.93% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.68% | 97.36% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.84% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.16% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.94% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.19% | 97.14% |
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.
| Gelasia cretica |
| PubChem | 11061016 |
| LOTUS | LTS0063084 |
| wikiData | Q105377916 |