Fuzanin C

Details

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Internal ID 49902f83-8729-49c7-92ab-e3557ce2e590
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines
IUPAC Name (2R,3R,4E,6E)-7-(3-methylpyridin-2-yl)hepta-4,6-diene-2,3-diol
SMILES (Canonical) CC1=C(N=CC=C1)C=CC=CC(C(C)O)O
SMILES (Isomeric) CC1=C(N=CC=C1)/C=C/C=C/[C@H]([C@@H](C)O)O
InChI InChI=1S/C13H17NO2/c1-10-6-5-9-14-12(10)7-3-4-8-13(16)11(2)15/h3-9,11,13,15-16H,1-2H3/b7-3+,8-4+/t11-,13-/m1/s1
InChI Key BTUAGFOIXNSRQC-AYVAYHFYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H17NO2
Molecular Weight 219.28 g/mol
Exact Mass 219.125928785 g/mol
Topological Polar Surface Area (TPSA) 53.40 Ų
XlogP 1.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Fuzanin 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
CHEMBL2581 P07339 Cathepsin D 93.29% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.25% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 90.97% 94.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.94% 90.24%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.62% 96.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 88.21% 100.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 87.34% 93.65%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.55% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.52% 86.33%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 85.37% 93.10%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.34% 91.11%
CHEMBL3524 P56524 Histone deacetylase 4 82.11% 92.97%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.63% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 80.92% 94.62%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 25178868
LOTUS LTS0078569
wikiData Q104945864