Araguspongine a
Internal ID | 76d3b001-3737-4ac4-8e5a-d64951a1f0a4 |
Taxonomy | Organoheterocyclic compounds > Piperidines |
IUPAC Name | (1R,8R,10S,15R,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol |
SMILES (Canonical) | C1CCCC2CCN3CCCC(C3O2)(CCCCCCC4CCN5CCCC(C5O4)CC1)O |
SMILES (Isomeric) | C1CCC[C@@H]2CCN3CCC[C@@]([C@@H]3O2)(CCCCCC[C@@H]4CCN5CCC[C@H]([C@@H]5O4)CC1)O |
InChI | InChI=1S/C28H50N2O3/c31-28-17-8-4-3-7-13-24-15-21-29-19-9-12-23(26(29)32-24)11-5-1-2-6-14-25-16-22-30(20-10-18-28)27(28)33-25/h23-27,31H,1-22H2/t23-,24-,25-,26+,27+,28-/m1/s1 |
InChI Key | DAHFKODECRYGAQ-HKVPEBPQSA-N |
Popularity | 3 references in papers |
Molecular Formula | C28H50N2O3 |
Molecular Weight | 462.70 g/mol |
Exact Mass | 462.38214346 g/mol |
Topological Polar Surface Area (TPSA) | 45.20 Ų |
XlogP | 6.10 |
(+)-xestospongin D |
CHEMBL517183 |
SCHEMBL8889566 |
(1R,8R,10S,15R,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol |
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 | 96.97% | 97.25% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 95.51% | 99.29% |
CHEMBL238 | Q01959 | Dopamine transporter | 94.21% | 95.88% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 91.33% | 94.78% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.85% | 96.61% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.90% | 93.04% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.77% | 95.17% |
CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 89.50% | 92.38% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.36% | 95.50% |
CHEMBL237 | P41145 | Kappa opioid receptor | 87.55% | 98.10% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.41% | 82.69% |
CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.24% | 98.99% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.36% | 99.18% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.90% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.45% | 97.09% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.33% | 90.24% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.23% | 96.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.03% | 92.94% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.02% | 97.50% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.59% | 98.46% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.46% | 92.62% |
CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.93% | 98.33% |
CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.69% | 96.03% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.51% | 95.83% |
CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 81.39% | 95.61% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.14% | 93.03% |
CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 81.10% | 97.15% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.60% | 97.86% |
CHEMBL2581 | P07339 | Cathepsin D | 80.22% | 98.95% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.21% | 95.58% |
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.
Ginkgo biloba |
Metasequoia glyptostroboides |
Podocarpus macrophyllus |
PubChem | 10939521 |
LOTUS | LTS0071191 |
wikiData | Q105112912 |