1,2-Dehydroneomajucin
| Internal ID | c01a8831-7e6f-4b60-a5de-69f0a7677aac |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | (1S,5R,6S,10R,11R,14R)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-2-ene-9,13-dione |
| SMILES (Canonical) | CC1=CCC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O |
| SMILES (Isomeric) | CC1=CC[C@]2([C@@]13C[C@H]([C@@]4([C@]2(COC4=O)C)O)OC(=O)[C@@H]3O)O |
| InChI | InChI=1S/C15H18O7/c1-7-3-4-14(19)12(2)6-21-11(18)15(12,20)8-5-13(7,14)9(16)10(17)22-8/h3,8-9,16,19-20H,4-6H2,1-2H3/t8-,9+,12+,13+,14+,15-/m1/s1 |
| InChI Key | XPACPYUBNPRNDG-NIOBCZAXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H18O7 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | -0.90 |
| (1S,5R,6S,10R,11R,14R)-5,10,14-Trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-2-ene-9,13-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.75% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.59% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.70% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.36% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.93% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.02% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.00% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.13% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.62% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.05% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.90% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.67% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.27% | 86.33% |
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.
| Illicium jiadifengpi |
| PubChem | 11141421 |
| LOTUS | LTS0217244 |
| wikiData | Q105338056 |