5-(8-Pentadecenyl)-1,3-benzenediol
| Internal ID | ca46e896-ce6b-4f27-b836-2aca623606e2 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Resorcinols |
| IUPAC Name | 5-[(E)-pentadec-8-enyl]benzene-1,3-diol |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC1=CC(=CC(=C1)O)O |
| SMILES (Isomeric) | CCCCCC/C=C/CCCCCCCC1=CC(=CC(=C1)O)O |
| InChI | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+ |
| InChI Key | TUGAUFMQYWZJAB-BQYQJAHWSA-N |
| Popularity | 36 references in papers |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 8.10 |
| Cardolmonoene |
| 5-[(E)-pentadec-8-enyl]benzene-1,3-diol |
| 5-(8-Pentadecenyl)resorcinol |
| CHEMBL221899 |
| SCHEMBL9472976 |
| 5-[(8E)-pentadec-8-en-1-yl]benzene-1,3-diol |
| 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 | 97.81% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.48% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.90% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.98% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.43% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.15% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.58% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.36% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.90% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 85.02% | 89.76% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.97% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.88% | 92.86% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.71% | 97.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.45% | 98.35% |
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 |
| Ginkgo biloba |
| Grevillea robusta |
| PubChem | 6916254 |
| NPASS | NPC168303 |
| ChEMBL | CHEMBL221899 |
| LOTUS | LTS0001307 |
| wikiData | Q105264747 |