Ramalinic acid B
| Internal ID | a27034ee-67aa-4c2e-bfff-fa449d78af47 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 3-(2-carboxy-5-methoxy-3-propylphenoxy)-2-hydroxy-4-methoxy-6-pentylbenzoic acid |
| SMILES (Canonical) | CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC2=CC(=CC(=C2C(=O)O)CCC)OC)OC |
| SMILES (Isomeric) | CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC2=CC(=CC(=C2C(=O)O)CCC)OC)OC |
| InChI | InChI=1S/C24H30O8/c1-5-7-8-10-15-12-18(31-4)22(21(25)20(15)24(28)29)32-17-13-16(30-3)11-14(9-6-2)19(17)23(26)27/h11-13,25H,5-10H2,1-4H3,(H,26,27)(H,28,29) |
| InChI Key | HAYYVTSJOLGOFW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O8 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 6.40 |
| RefChem:178598 |
| CHEBI:210178 |
| 3-(2-carboxy-5-methoxy-3-propylphenoxy)-2-hydroxy-4-methoxy-6-pentylbenzoic acid |
| 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 | 96.14% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.78% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.91% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.13% | 92.08% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.32% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.69% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.01% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.88% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.94% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.63% | 98.75% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.48% | 94.42% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.51% | 90.20% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.48% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.15% | 97.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.68% | 92.62% |
| CHEMBL3194 | P02766 | Transthyretin | 82.08% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 102531720 |
| LOTUS | LTS0221116 |
| wikiData | Q104167670 |