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Cineverine

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 4a8295de-4a17-422c-a646-d5c010989ef7
Taxonomy Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids
IUPAC Name [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3,4-dimethoxybenzoate
SMILES (Canonical) COC1=C(C=C(C=C1)C(=O)OC2CCN3CC4CC(C3C2)CN5C4CCCC5=O)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)C(=O)O[C@H]2CCN3C[C@@H]4C[C@H]([C@@H]3C2)CN5[C@@H]4CCCC5=O)OC
InChI InChI=1S/C24H32N2O5/c1-29-21-7-6-15(11-22(21)30-2)24(28)31-18-8-9-25-13-16-10-17(20(25)12-18)14-26-19(16)4-3-5-23(26)27/h6-7,11,16-20H,3-5,8-10,12-14H2,1-2H3/t16-,17-,18-,19+,20-/m0/s1
InChI Key NSCGXCFTTLNOMA-FSGKZVOOSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H32N2O5
Molecular Weight 428.50 g/mol
Exact Mass 428.23112213 g/mol
Topological Polar Surface Area (TPSA) 68.30 Ų
XlogP 2.80

Synonyms

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InChI=1/C24H32N2O5/c1-29-21-7-6-15(11-22(21)30-2)24(28)31-18-8-9-25-13-16-10-17(20(25)12-18)14-26-19(16)4-3-5-23(26)27/h6-7,11,16-20H,3-5,8-10,12-14H2,1-2H3/t16?,17?,18-,19-,20-/m0/s

2D Structure

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2D Structure of Cineverine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.86% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 96.80% 92.94%
CHEMBL2581 P07339 Cathepsin D 94.62% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.42% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.42% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.31% 86.33%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 90.93% 91.43%
CHEMBL2535 P11166 Glucose transporter 90.92% 98.75%
CHEMBL340 P08684 Cytochrome P450 3A4 90.51% 91.19%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.83% 95.56%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.99% 93.03%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.91% 93.99%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.77% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.07% 90.71%
CHEMBL4208 P20618 Proteasome component C5 84.93% 90.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 83.84% 90.24%
CHEMBL2443 P49862 Kallikrein 7 83.00% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.80% 97.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.73% 89.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.38% 94.00%

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.
Genista cinerea
Genista pilosa

Cross-Links

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PubChem 15939894
LOTUS LTS0236023
wikiData Q104250434