Longipedlactone N
| Internal ID | 27069820-786e-4bfb-b2b8-b7cae887043c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(1R,2R,4S,10S,11R,13S,14R,19R)-1-hydroxy-9,9,14-trimethyl-18-methylidene-17-[(1R)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxo-3,8-dioxapentacyclo[11.7.0.02,4.04,10.014,19]icosa-5,16-dien-11-yl] acetate |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2=CCC3(C4CC(C5C(OC(=O)C=CC56C(C4(CC3C2=C)O)O6)(C)C)OC(=O)C)C |
| SMILES (Isomeric) | CC1=CC[C@@H](OC1=O)[C@H](C)C2=CC[C@]3([C@@H]4C[C@H]([C@@H]5[C@@]6(C=CC(=O)OC5(C)C)[C@@H]([C@]4(C[C@H]3C2=C)O)O6)OC(=O)C)C |
| InChI | InChI=1S/C32H40O8/c1-16-8-9-22(38-27(16)35)18(3)20-10-12-30(7)21(17(20)2)15-31(36)24(30)14-23(37-19(4)33)26-29(5,6)39-25(34)11-13-32(26)28(31)40-32/h8,10-11,13,18,21-24,26,28,36H,2,9,12,14-15H2,1,3-7H3/t18-,21+,22-,23-,24+,26+,28-,30-,31-,32+/m1/s1 |
| InChI Key | NUGUABFSSDNCNU-NDARPQDRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H40O8 |
| Molecular Weight | 552.70 g/mol |
| Exact Mass | 552.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.40 |
| CHEMBL1077067 |
| 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 | 98.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.97% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.69% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.08% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.58% | 97.28% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.33% | 90.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.16% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.02% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.00% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.94% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.68% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.29% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.50% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.49% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.23% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.88% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.93% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.73% | 95.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.14% | 95.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.69% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.17% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.54% | 96.47% |
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.
| Kadsura coccinea |
| PubChem | 44626552 |
| LOTUS | LTS0141301 |
| wikiData | Q105185872 |