(2S)-5,7-dihydroxy-2,9-dimethyl-2-(4-methylpent-3-enyl)naphtho[2,3-g]chromene-6,11-dione
| Internal ID | a023d716-fa2c-4aea-b529-c7f7a60d7d62 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (2S)-5,7-dihydroxy-2,9-dimethyl-2-(4-methylpent-3-enyl)naphtho[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)CCC=C(C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3C2=O)O[C@@](C=C4)(C)CCC=C(C)C)O |
| InChI | InChI=1S/C25H24O5/c1-13(2)6-5-8-25(4)9-7-15-19(30-25)12-17-21(23(15)28)24(29)20-16(22(17)27)10-14(3)11-18(20)26/h6-7,9-12,26,28H,5,8H2,1-4H3/t25-/m0/s1 |
| InChI Key | DXZNFMDSVMRPKC-VWLOTQADSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (2S)-5,7-dihydroxy-2,9-dimethyl-2-(4-methylpent-3-enyl)naphtho[2,3-g]chromene-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2s-57-dihydroxy-29-dimethyl-2-4-methylpent-3-enylnaphtho23-gchromene-611-dione.jpg "2D Structure of (2S)-5,7-dihydroxy-2,9-dimethyl-2-(4-methylpent-3-enyl)naphtho[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 | 99.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.06% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.49% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.62% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.07% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.23% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.84% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.73% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.01% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.13% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.88% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.56% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.48% | 89.34% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.34% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.26% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.87% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.23% | 91.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.71% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.68% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.57% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.55% | 96.90% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.51% | 85.30% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.06% | 83.10% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.69% | 92.88% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.68% | 96.37% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 80.46% | 83.65% |
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 | 101688193 |
| LOTUS | LTS0021172 |
| wikiData | Q104991271 |