[8-Formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate
| Internal ID | 08ff3e9e-a893-43ec-adf1-e8bd105823aa |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | [8-formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(39)41-25-27-21-31(40-5)29-22-32(38)35(4,23-28(37)20-26(2)3)42-34(29)30(27)24-36/h20-21,24,32,38H,6-19,22-23,25H2,1-5H3 |
| InChI Key | VRVNUMYDBOJZOP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H54O7 |
| Molecular Weight | 586.80 g/mol |
| Exact Mass | 586.38695406 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of [8-Formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b3df2580-848c-11ee-b3f2-d7cd01613bdc.jpg "2D Structure of [8-Formyl-3-hydroxy-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.27% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.13% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.84% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.79% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.18% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.40% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.47% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.77% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.51% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.36% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.70% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.68% | 95.89% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.82% | 92.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.80% | 82.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.77% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.55% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.46% | 89.63% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.30% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.27% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.75% | 97.09% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.05% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 25018349 |
| LOTUS | LTS0167236 |
| wikiData | Q105291986 |