6,1'-O,O-dimethylaverantin
| Internal ID | c4fa0c4e-217d-4b2c-9d96-4f89d49e9dab |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,3,8-trihydroxy-6-methoxy-2-[(1S)-1-methoxyhexyl]anthracene-9,10-dione |
| SMILES (Canonical) | CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O)OC |
| SMILES (Isomeric) | CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O)OC |
| InChI | InChI=1S/C22H24O7/c1-4-5-6-7-16(29-3)19-15(24)10-13-18(22(19)27)21(26)17-12(20(13)25)8-11(28-2)9-14(17)23/h8-10,16,23-24,27H,4-7H2,1-3H3/t16-/m0/s1 |
| InChI Key | KXEYRABENKSUQJ-INIZCTEOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.30 |
| CHEMBL2071287 |
| SCHEMBL23522384 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.70% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.86% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.72% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.84% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.12% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.67% | 92.08% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.58% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.52% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.37% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.42% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.14% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.96% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.36% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.57% | 86.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.54% | 97.29% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.23% | 91.71% |
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.
| Gardenia jasminoides |
| Genipa americana |
| PubChem | 60199901 |
| LOTUS | LTS0094080 |
| wikiData | Q104939087 |