6-Hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione
Internal ID | 41d33907-d8a3-432c-ab26-eaa21b9410d9 |
Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
IUPAC Name | 6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione |
SMILES (Canonical) | CC1C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C |
SMILES (Isomeric) | CC1C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C |
InChI | InChI=1S/C16H25NO5/c1-9-10(2)16(3,20)15(19)21-8-11-4-6-17-7-5-12(13(11)17)22-14(9)18/h9-13,20H,4-8H2,1-3H3 |
InChI Key | GXAPLLMJHZBIPX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H25NO5 |
Molecular Weight | 311.37 g/mol |
Exact Mass | 311.17327290 g/mol |
Topological Polar Surface Area (TPSA) | 76.10 Ų |
XlogP | 1.30 |
480-86-4 |
AKOS040753742 |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.13% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.29% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.79% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.80% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.02% | 99.23% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.25% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.29% | 85.14% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.89% | 97.14% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.28% | 93.40% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.47% | 89.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.07% | 91.11% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.92% | 93.03% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.60% | 94.78% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.49% | 96.77% |
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.
Crotalaria retusa |
Physalis coztomatl |
PubChem | 12314909 |
LOTUS | LTS0028209 |
wikiData | Q105022942 |