(2S)-5,7-dihydroxy-2-(4-hydroxy-4-methylpentyl)-2,9-dimethylnaphtho[2,3-g]chromene-6,11-dione
| Internal ID | 975f4f55-be6f-432f-9c70-24371f345952 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-(4-hydroxy-4-methylpentyl)-2,9-dimethylnaphtho[2,3-g]chromene-6,11-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3C2=O)OC(C=C4)(C)CCCC(C)(C)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3C2=O)O[C@@](C=C4)(C)CCCC(C)(C)O)O |
| InChI | InChI=1S/C25H26O6/c1-13-10-15-19(17(26)11-13)23(29)20-16(21(15)27)12-18-14(22(20)28)6-9-25(4,31-18)8-5-7-24(2,3)30/h6,9-12,26,28,30H,5,7-8H2,1-4H3/t25-/m0/s1 |
| InChI Key | ZAOGRZZIKRABFR-VWLOTQADSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (2S)-5,7-dihydroxy-2-(4-hydroxy-4-methylpentyl)-2,9-dimethylnaphtho[2,3-g]chromene-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2s-57-dihydroxy-2-4-hydroxy-4-methylpentyl-29-dimethylnaphtho23-gchromene-611-dione.jpg "2D Structure of (2S)-5,7-dihydroxy-2-(4-hydroxy-4-methylpentyl)-2,9-dimethylnaphtho[2,3-g]chromene-6,11-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 | 99.33% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.83% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.94% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.68% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.83% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.74% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.53% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.26% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.10% | 93.18% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.10% | 85.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.10% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.13% | 90.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.07% | 92.88% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.71% | 83.57% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.87% | 96.37% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.42% | 90.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.87% | 95.34% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.31% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.90% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.67% | 99.15% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.52% | 96.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.98% | 96.90% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.65% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.92% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.37% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.23% | 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 | 101688194 |
| LOTUS | LTS0077533 |
| wikiData | Q105369975 |