(1Z)-2-benzyl-1-chloro-7,9,15-trimethylnonadeca-1,18-diene-4,10,16-triol
| Internal ID | 67060b91-4402-456a-8fd0-f50cfa1a0a26 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | (1Z)-2-benzyl-1-chloro-7,9,15-trimethylnonadeca-1,18-diene-4,10,16-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H47ClO3/c1-5-11-28(32)23(3)12-9-10-15-29(33)24(4)18-22(2)16-17-27(31)20-26(21-30)19-25-13-7-6-8-14-25/h5-8,13-14,21-24,27-29,31-33H,1,9-12,15-20H2,2-4H3/b26-21- |
| InChI Key | ORENNUJWZUSRAQ-QLYXXIJNSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C29H47ClO3 |
| Molecular Weight | 479.10 g/mol |
| Exact Mass | 478.3213731 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 8.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.71% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.21% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.62% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.10% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.56% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.65% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.38% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.02% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.39% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.83% | 95.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.31% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.94% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.76% | 94.08% |
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 | 164511977 |
| LOTUS | LTS0033488 |
| wikiData | Q104246340 |