(2S,3S)-2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-6-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-7-methyl-3-[(1S,3S,4R)-2,3,4-trihydroxy-1-methoxypentyl]-3,4-dihydro-2H-anthracen-1-one
| Internal ID | ee1d99a2-4883-4f14-b243-b00b82f0bb46 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3S)-2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-6-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-7-methyl-3-[(1S,3S,4R)-2,3,4-trihydroxy-1-methoxypentyl]-3,4-dihydro-2H-anthracen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C53H80O24/c1-19-30(73-35-15-31(43(58)21(3)68-35)74-34-14-29(55)49(66-9)24(6)71-34)13-27-11-26-12-28(50(67-10)48(63)42(57)20(2)54)51(47(62)40(26)46(61)39(27)41(19)56)77-37-17-32(44(59)23(5)70-37)75-36-16-33(45(60)22(4)69-36)76-38-18-53(8,65)52(64)25(7)72-38/h11,13,20-25,28-29,31-38,42-45,48-52,54-61,63-65H,12,14-18H2,1-10H3/t20-,21?,22?,23?,24?,25?,28+,29?,31?,32?,33?,34?,35?,36?,37?,38?,42+,43?,44?,45?,48?,49?,50+,51+,52?,53?/m1/s1 |
| InChI Key | VUBXBASJXXRTOP-VPVJJHMISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C53H80O24 |
| Molecular Weight | 1101.20 g/mol |
| Exact Mass | 1100.50395341 g/mol |
| Topological Polar Surface Area (TPSA) | 350.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (2S,3S)-2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-6-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-7-methyl-3-[(1S,3S,4R)-2,3,4-trihydroxy-1-methoxypentyl]-3,4-dihydro-2H-anthracen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/cd649330-8470-11ee-a0a0-e9952e84a255.jpg "2D Structure of (2S,3S)-2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-6-[5-hydroxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-7-methyl-3-[(1S,3S,4R)-2,3,4-trihydroxy-1-methoxypentyl]-3,4-dihydro-2H-anthracen-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 | 98.67% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.65% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.80% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.60% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.97% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.88% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.77% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.45% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.31% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.74% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.59% | 90.71% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.47% | 92.98% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.85% | 85.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.25% | 99.15% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.87% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.43% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.33% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.10% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.01% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.14% | 92.94% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.08% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.50% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.63% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.28% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.10% | 95.50% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 81.78% | 96.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.46% | 96.39% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.18% | 95.58% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.00% | 96.90% |
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.
| There are no matching plants. |
| PubChem | 163061710 |
| LOTUS | LTS0124253 |
| wikiData | Q105293193 |