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Zoanthoxantin

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 b598c47f-3628-4b3a-93da-0da2b4e5e176
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Tertiary alkylarylamines > Dialkylarylamines
IUPAC Name 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H16N6/c1-7-5-8(18(2)3)9-10(16-6-15-9)11-12(7)19(4)13(14)17-11/h5-6H,1-4H3,(H2,14,17)
InChI Key WOYJUCXCGYYVSH-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C13H16N6
Molecular Weight 256.31 g/mol
Exact Mass 256.14364454 g/mol
Topological Polar Surface Area (TPSA) 72.90 Ų
XlogP 0.90

Synonyms

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40451-47-6
9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine
BRN 1222242
DTXSID60193467
N(6),N(6),3,4-Tetramethyl-3H-cyclohepta(1,2-d:4,5-d')diimidazole-2,6-diamine

2D Structure

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2D Structure of Zoanthoxantin

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
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 95.64% 93.65%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.79% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.16% 94.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 90.85% 93.10%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.66% 85.14%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 88.41% 94.42%
CHEMBL2581 P07339 Cathepsin D 87.43% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.57% 86.33%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.52% 100.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.50% 93.40%
CHEMBL3401 O75469 Pregnane X receptor 84.40% 94.73%
CHEMBL204 P00734 Thrombin 84.06% 96.01%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.02% 95.56%
CHEMBL3979 Q03181 Peroxisome proliferator-activated receptor delta 82.08% 93.95%
CHEMBL290 Q13370 Phosphodiesterase 3B 81.53% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.13% 96.00%

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.
There are no matching plants.

Cross-Links

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PubChem 38474
LOTUS LTS0082715
wikiData Q83066211