heptacosyl (1S,2S)-2-(3-hydroxy-4-methoxyphenyl)cyclopentane-1-carboxylate
| Internal ID | a071e735-0d00-4272-b862-b72f92309355 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | heptacosyl (1S,2S)-2-(3-hydroxy-4-methoxyphenyl)cyclopentane-1-carboxylate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCCC1C2=CC(=C(C=C2)OC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)[C@H]1CCC[C@@H]1C2=CC(=C(C=C2)OC)O |
| InChI | InChI=1S/C40H70O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33-44-40(42)37-30-28-29-36(37)35-31-32-39(43-2)38(41)34-35/h31-32,34,36-37,41H,3-30,33H2,1-2H3/t36-,37+/m1/s1 |
| InChI Key | BWGDZUGXPBDGMF-AARKOHAPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H70O4 |
| Molecular Weight | 615.00 g/mol |
| Exact Mass | 614.52741071 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 16.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.11% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.68% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.17% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.52% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.06% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.74% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.84% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.02% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.97% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.83% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.23% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.76% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.70% | 91.81% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.55% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.78% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.76% | 96.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.11% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.52% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.26% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.73% | 97.25% |
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.
| Allium victorialis |
| PubChem | 162867324 |
| LOTUS | LTS0191206 |
| wikiData | Q104947220 |