Pseudallicin D
| Internal ID | aadec62c-66d1-41e0-92f7-2b84637162e6 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines > Amphetamines and derivatives |
| IUPAC Name | (5S,7R)-3-[[(2S,3R,8R,10R)-3-hydroxy-1-(4-hydroxyphenyl)-8,10-dimethyldodec-6-en-2-yl]-methylamino]-8-methylidene-7-[(2S)-7-methyl-3-oxooct-6-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H59NO5/c1-9-28(4)23-29(5)14-10-11-15-38(44)35(24-32-17-19-33(42)20-18-32)41(8)36-26-40(46-39(36)45)22-21-30(6)34(25-40)31(7)37(43)16-12-13-27(2)3/h10,13-14,17-20,26,28-29,31,34-35,38,42,44H,6,9,11-12,15-16,21-25H2,1-5,7-8H3/t28-,29+,31+,34+,35+,38-,40+/m1/s1 |
| InChI Key | VIDGNJPCBMOYMK-FPYCVEBQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H59NO5 |
| Molecular Weight | 633.90 g/mol |
| Exact Mass | 633.43932398 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 9.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.83% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.39% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.18% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.25% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.80% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.74% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.32% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.06% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.58% | 90.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.52% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.15% | 93.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.02% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.73% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.13% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.80% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 86.29% | 96.85% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.76% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.29% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.19% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.82% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.03% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.78% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.58% | 91.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.48% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.04% | 99.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.03% | 97.50% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.03% | 97.50% |
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 | 139591064 |
| LOTUS | LTS0072958 |
| wikiData | Q105286758 |