methyl (2S)-2-methyl-8-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromene-6-carboxylate
| Internal ID | 1609195a-ce7c-4e53-865c-ee5c9e9c4749 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | methyl (2S)-2-methyl-8-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)chromene-6-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O3/c1-16(2)8-7-12-23(5)13-11-19-15-20(22(24)25-6)14-18(21(19)26-23)10-9-17(3)4/h8-9,11,13-15H,7,10,12H2,1-6H3/t23-/m0/s1 |
| InChI Key | ZMYVPUKCYGOUAE-QHCPKHFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H30O3 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 6.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.90% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.34% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.72% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.58% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.32% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.35% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.75% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.66% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.19% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.66% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.20% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.79% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.65% | 90.17% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.14% | 85.30% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.99% | 96.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.60% | 97.28% |
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.
| Piper aduncum |
| PubChem | 91353621 |
| LOTUS | LTS0201649 |
| wikiData | Q105379846 |