(3R)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7-dione
| Internal ID | c2892154-7fe6-4a97-b138-f15c4b05e41f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (3R)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O10/c1-11-21(29)23(31)24(32)25(36-11)37-16-8-12-9-26(2,33)10-14(28)17(12)20-19(16)22(30)18-13(27(20,3)34)6-5-7-15(18)35-4/h5-8,11,21,23-25,29,31-34H,9-10H2,1-4H3/t11-,21-,23+,24+,25?,26-,27?/m1/s1 |
| InChI Key | ZOIFOOKAJHQJQH-YNJMMLHXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H30O10 |
| Molecular Weight | 514.50 g/mol |
| Exact Mass | 514.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (3R)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/75f31010-84f5-11ee-9697-db032c967989.jpg "2D Structure of (3R)-3,12-dihydroxy-8-methoxy-3,12-dimethyl-6-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7-dione")
| 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 | 98.82% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.83% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.37% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.31% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.32% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.26% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.96% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.66% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.62% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.17% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.93% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.02% | 97.36% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.51% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.01% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.69% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.05% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.93% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.85% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.78% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.56% | 96.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.31% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.20% | 92.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.90% | 97.09% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.78% | 98.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.02% | 96.77% |
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.
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| There are no matching plants. |
| PubChem | 163116272 |
| LOTUS | LTS0218246 |
| wikiData | Q105380502 |