4-[18-(4-Carboxy-2,3-dimethylphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylbenzoic acid
| Internal ID | 3f9994f5-033b-4e84-aa87-3b09f5038cb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 4-[18-(4-carboxy-2,3-dimethylphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylbenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H44O4/c1-27(15-11-17-29(3)19-21-35-23-25-37(39(41)42)33(7)31(35)5)13-9-10-14-28(2)16-12-18-30(4)20-22-36-24-26-38(40(43)44)34(8)32(36)6/h9-26H,1-8H3,(H,41,42)(H,43,44) |
| InChI Key | BFYXFUUHZKWAJW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H44O4 |
| Molecular Weight | 588.80 g/mol |
| Exact Mass | 588.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of 4-[18-(4-Carboxy-2,3-dimethylphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylbenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1e075f50-8552-11ee-867f-c16ac2844e93.jpg "2D Structure of 4-[18-(4-Carboxy-2,3-dimethylphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylbenzoic 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.63% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 91.16% | 87.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.92% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.10% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.90% | 96.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.24% | 97.36% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.03% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.91% | 93.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.78% | 96.47% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.91% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.39% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.06% | 96.09% |
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 | 74960779 |
| LOTUS | LTS0075171 |
| wikiData | Q103816720 |