Lycoparin C

Details

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Internal ID 3b70fbdc-2cad-4734-b66b-09856336fdc6
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives
IUPAC Name (1R,9R,13R)-1-amino-13-ethenyl-11-(hydroxymethyl)-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H18N2O2/c1-2-11-10-5-9(8-18)7-15(11,16)12-3-4-14(19)17-13(12)6-10/h2-5,10-11,18H,1,6-8,16H2,(H,17,19)/t10-,11+,15+/m0/s1
InChI Key KKOQTAOXNQUZKU-FIXISWKDSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H18N2O2
Molecular Weight 258.32 g/mol
Exact Mass 258.136827821 g/mol
Topological Polar Surface Area (TPSA) 75.40 Ų
XlogP -1.00

Synonyms

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RefChem:154616
(1R,9R,13R)-1-amino-13-ethenyl-11-(hydroxymethyl)-6-azatricyclo(7.3.1.02,7)trideca-2(7),3,10-trien-5-one
CHEMBL455781
BDBM50271482

2D Structure

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2D Structure of Lycoparin C

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.68% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.34% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.58% 97.09%
CHEMBL1937 Q92769 Histone deacetylase 2 93.00% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.57% 95.56%
CHEMBL220 P22303 Acetylcholinesterase 86.89% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.28% 100.00%
CHEMBL2581 P07339 Cathepsin D 83.57% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.18% 95.89%
CHEMBL255 P29275 Adenosine A2b receptor 81.65% 98.59%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.86% 91.71%

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.
Lycopodiastrum casuarinoides

Cross-Links

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PubChem 44586221
NPASS NPC126481
ChEMBL CHEMBL455781
LOTUS LTS0126506
wikiData Q105142294