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Magnofargesin

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 844de904-be7c-41ae-bd4c-cab875c12bf3
Taxonomy Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
IUPAC Name [(2S,3R,4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol
SMILES (Canonical) COC1=C(C=C(C=C1)C=C2COC(C2CO)C3=CC(=C(C(=C3)OC)OC)OC)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)/C=C/2\CO[C@@H]([C@H]2CO)C3=CC(=C(C(=C3)OC)OC)OC)OC
InChI InChI=1S/C23H28O7/c1-25-18-7-6-14(9-19(18)26-2)8-16-13-30-22(17(16)12-24)15-10-20(27-3)23(29-5)21(11-15)28-4/h6-11,17,22,24H,12-13H2,1-5H3/b16-8+/t17-,22+/m0/s1
InChI Key ITZKNWISERYZRG-AQKWFABASA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C23H28O7
Molecular Weight 416.50 g/mol
Exact Mass 416.18350323 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 2.40

Synonyms

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[(2S,3R,4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methanol

2D Structure

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2D Structure of Magnofargesin

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
CHEMBL4302 P08183 P-glycoprotein 1 97.32% 92.98%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.78% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.70% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.22% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.09% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.86% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.16% 96.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.85% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.79% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.25% 89.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.64% 92.62%
CHEMBL2535 P11166 Glucose transporter 80.62% 98.75%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.59% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.28% 95.89%

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.
Magnolia biondii

Cross-Links

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PubChem 10573939
LOTUS LTS0153283
wikiData Q105382766