(3aR,4S,5aS,6R,11aR,11bR)-4,5a,6,10,11a-pentahydroxy-8-methoxy-4-methyl-3a,5,6,11b-tetrahydroanthra[1,2-d][1,3]dioxole-2,11-dione
| Internal ID | 0093fcae-271a-4e4c-8ff8-a839890904ee |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (3aR,4S,5aS,6R,11aR,11bR)-4,5a,6,10,11a-pentahydroxy-8-methoxy-4-methyl-3a,5,6,11b-tetrahydroanthra[1,2-d][1,3]dioxole-2,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H18O10/c1-15(22)5-16(23)10(19)7-3-6(25-2)4-8(18)9(7)11(20)17(16,24)13-12(15)26-14(21)27-13/h3-4,10,12-13,18-19,22-24H,5H2,1-2H3/t10-,12-,13-,15+,16+,17-/m1/s1 |
| InChI Key | HAECORBRWKQWGT-RLOCMXCESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H18O10 |
| Molecular Weight | 382.30 g/mol |
| Exact Mass | 382.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of (3aR,4S,5aS,6R,11aR,11bR)-4,5a,6,10,11a-pentahydroxy-8-methoxy-4-methyl-3a,5,6,11b-tetrahydroanthra[1,2-d][1,3]dioxole-2,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/14568970-8598-11ee-b7f2-038e03062f2b.jpg "2D Structure of (3aR,4S,5aS,6R,11aR,11bR)-4,5a,6,10,11a-pentahydroxy-8-methoxy-4-methyl-3a,5,6,11b-tetrahydroanthra[1,2-d][1,3]dioxole-2,11-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 | 99.35% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.40% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.54% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.11% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.45% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.24% | 83.82% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.01% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.91% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.47% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.43% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.71% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.78% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.55% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.24% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.44% | 97.14% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.39% | 92.68% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.49% | 91.19% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.99% | 80.00% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 80.02% | 92.67% |
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 | 163024010 |
| LOTUS | LTS0207215 |
| wikiData | Q105024823 |