(6E,10E)-16-(2,5-dihydroxy-3-methylphenyl)-4,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,10-trien-5-one
| Internal ID | 65644228-f90a-42e3-8950-7caeeee812d9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (6E,10E)-16-(2,5-dihydroxy-3-methylphenyl)-4,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,6,10-trien-5-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CCC(C)(CCC=C(C)CCC=C(C)C(=O)C(C=C(C)C)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)CCC(C)(CC/C=C(\C)/CC/C=C(\C)/C(=O)C(C=C(C)C)O)O)O |
| InChI | InChI=1S/C27H40O5/c1-18(2)15-24(29)26(31)20(4)11-7-9-19(3)10-8-13-27(6,32)14-12-22-17-23(28)16-21(5)25(22)30/h10-11,15-17,24,28-30,32H,7-9,12-14H2,1-6H3/b19-10+,20-11+ |
| InChI Key | BVUCFQIGMWEXII-ROUMAOROSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H40O5 |
| Molecular Weight | 444.60 g/mol |
| Exact Mass | 444.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.80 |
| BDBM50479459 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.15% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.70% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.30% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.77% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.16% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.13% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.41% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.03% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.63% | 83.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.89% | 92.08% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.20% | 93.18% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.19% | 90.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.22% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.72% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.31% | 96.00% |
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 | 25136229 |
| LOTUS | LTS0135909 |
| wikiData | Q104946856 |