(1S,2S,13R,15R)-2,11-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one
Internal ID | d5fc9fdd-8c73-4406-be96-b7ae676b5efa |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | (1S,2S,13R,15R)-2,11-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-8,10-dien-12-one |
SMILES (Canonical) | CC1CC2C(=O)C(=C3C=CCN4C3(C1)C2(CCC4)O)O |
SMILES (Isomeric) | C[C@@H]1C[C@H]2C(=O)C(=C3C=CCN4[C@]3(C1)[C@@]2(CCC4)O)O |
InChI | InChI=1S/C16H21NO3/c1-10-8-12-14(19)13(18)11-4-2-6-17-7-3-5-16(12,20)15(11,17)9-10/h2,4,10,12,18,20H,3,5-9H2,1H3/t10-,12+,15+,16+/m1/s1 |
InChI Key | VWZYNGVVOIPUDF-LPGAHRBXSA-N |
Popularity | 0 references in papers |
Molecular Formula | C16H21NO3 |
Molecular Weight | 275.34 g/mol |
Exact Mass | 275.15214353 g/mol |
Topological Polar Surface Area (TPSA) | 60.80 Ų |
XlogP | 0.70 |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.55% | 97.25% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.74% | 93.40% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.63% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 88.75% | 98.95% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.01% | 82.69% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.91% | 90.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.73% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.39% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.60% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.81% | 86.33% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.14% | 93.03% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.59% | 94.45% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.15% | 90.24% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.98% | 85.14% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.93% | 92.94% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.62% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.50% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.04% | 90.71% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.98% | 94.42% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.39% | 93.04% |
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.
Huperzia serrata |
PubChem | 162952624 |
LOTUS | LTS0105141 |
wikiData | Q105298378 |