2-Methyl-5-pentadec-8-enylbenzene-1,3-diol
| Internal ID | 0023b2d3-6a05-4745-b65a-d7ac966f3d0b |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Resorcinols |
| IUPAC Name | 2-methyl-5-pentadec-8-enylbenzene-1,3-diol |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC1=CC(=C(C(=C1)O)C)O |
| SMILES (Isomeric) | CCCCCCC=CCCCCCCCC1=CC(=C(C(=C1)O)C)O |
| InChI | InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h8-9,17-18,23-24H,3-7,10-16H2,1-2H3 |
| InChI Key | LDBPJTXLCRXBIJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O2 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.82% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.71% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.27% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.23% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.19% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.80% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.64% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.42% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.01% | 97.29% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.24% | 97.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.69% | 96.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.13% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 81.33% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.73% | 95.56% |
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.
| Anacardium occidentale |
| PubChem | 53436244 |
| LOTUS | LTS0226609 |
| wikiData | Q104170840 |