8'-O-Methylasterric acid
| Internal ID | 7b849b81-0f06-4a15-8568-f96bb0df0e5d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | 2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid |
| SMILES (Canonical) | CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)O)OC |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2OC)O)C(=O)OC)C(=O)O)OC |
| InChI | InChI=1S/C18H18O8/c1-9-5-12(23-2)15(17(20)21)13(6-9)26-16-11(18(22)25-4)7-10(19)8-14(16)24-3/h5-8,19H,1-4H3,(H,20,21) |
| InChI Key | WNYUTRBXWKTNBF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O8 |
| Molecular Weight | 362.30 g/mol |
| Exact Mass | 362.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 91.07% | 94.42% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.84% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.49% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.88% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.05% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.63% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.51% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.44% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.90% | 91.19% |
| CHEMBL3194 | P02766 | Transthyretin | 82.93% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.17% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.50% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.99% | 99.15% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.33% | 93.00% |
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.
| There are no matching plants. |
| PubChem | 139583434 |
| LOTUS | LTS0240086 |
| wikiData | Q75062473 |