(-)-Thermospine
Internal ID | 2af8e45b-e1a6-455b-b9ba-781a4a3cff8b |
Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Anagyrine-type alkaloids |
IUPAC Name | (1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one |
SMILES (Canonical) | C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O |
SMILES (Isomeric) | C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O |
InChI | InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13-/m0/s1 |
InChI Key | FQEQMASDZFXSJI-XQQFMLRXSA-N |
Popularity | 2 references in papers |
Molecular Formula | C15H20N2O |
Molecular Weight | 244.33 g/mol |
Exact Mass | 244.157563266 g/mol |
Topological Polar Surface Area (TPSA) | 23.60 Ų |
XlogP | 1.60 |
Thermospine |
(-)-Thermospine |
CHEBI:9524 |
(1S,9R,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one |
![2D Structure of (-)-Thermospine 2D Structure of (-)-Thermospine](https://plantaedb.com/storage/docs/compounds/2023/11/-thermospine.jpg)
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 | 93.93% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.44% | 97.09% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.26% | 93.03% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.31% | 93.99% |
CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.77% | 96.25% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.22% | 82.69% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.62% | 93.04% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.34% | 93.40% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.96% | 97.25% |
CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 85.81% | 97.98% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.08% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.56% | 99.23% |
CHEMBL238 | Q01959 | Dopamine transporter | 83.71% | 95.88% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.65% | 99.18% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.29% | 94.45% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.80% | 93.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.84% | 96.09% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.83% | 94.23% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.82% | 99.29% |
CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.12% | 98.33% |
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.
Clathrotropis glaucophylla |
Thermopsis mongolica |
PubChem | 442967 |
LOTUS | LTS0158790 |
wikiData | Q105105439 |