Lentiginosine

Details

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Internal ID a452bea1-4884-437a-bfed-a278c66051d9
Taxonomy Organoheterocyclic compounds > Indolizidines
IUPAC Name (1S,2S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILES (Canonical) C1CCN2CC(C(C2C1)O)O
SMILES (Isomeric) C1CCN2C[C@@H]([C@H]([C@@H]2C1)O)O
InChI InChI=1S/C8H15NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h6-8,10-11H,1-5H2/t6-,7-,8-/m0/s1
InChI Key SQECYPINZNWUTE-FXQIFTODSA-N
Popularity 45 references in papers

Physical and Chemical Properties

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Molecular Formula C8H15NO2
Molecular Weight 157.21 g/mol
Exact Mass 157.110278721 g/mol
Topological Polar Surface Area (TPSA) 43.70 Ų
XlogP -0.30

Synonyms

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(1S,2S,8aS)-Octahydroindolizine-1,2-diol
161024-43-7
C10155
CHEBI:6409
SCHEMBL1676056
Q27107196

2D Structure

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2D Structure of Lentiginosine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 89.64% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.98% 96.09%
CHEMBL3023 Q9NRA0 Sphingosine kinase 2 87.68% 95.61%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.39% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.99% 95.89%
CHEMBL237 P41145 Kappa opioid receptor 86.95% 98.10%
CHEMBL2581 P07339 Cathepsin D 86.31% 98.95%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 85.96% 94.78%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 85.66% 96.03%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.51% 93.03%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 83.10% 93.04%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.47% 97.09%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 81.12% 98.33%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.04% 95.50%

Plants that contains it

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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.
Arachis hypogaea
Astragalus lentiginosus
Glycine max

Cross-Links

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PubChem 442645
LOTUS LTS0275747
wikiData Q105003606