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Irciformonin F

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 8cf2407a-bd50-46c7-b381-b3532a3bc793
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
IUPAC Name [(1R,4E,6S,8E)-6-acetyloxy-11-(furan-3-yl)-4,8-dimethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]undeca-4,8-dienyl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H36O7/c1-18(7-6-8-22-12-14-30-17-22)15-23(31-20(3)27)16-19(2)9-10-24(32-21(4)28)26(5)13-11-25(29)33-26/h7,12,14,16-17,23-24H,6,8-11,13,15H2,1-5H3/b18-7+,19-16+/t23-,24+,26-/m0/s1
InChI Key FKFCRXIWISWTQT-NEQWESOKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H36O7
Molecular Weight 460.60 g/mol
Exact Mass 460.24610348 g/mol
Topological Polar Surface Area (TPSA) 92.00 Ų
XlogP 4.90

Synonyms

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((1R,4E,6S,8E)-6-acetyloxy-11-(furan-3-yl)-4,8-dimethyl-1-((2S)-2-methyl-5-oxooxolan-2-yl)undeca-4,8-dienyl) acetate
((1R,4E,8E)-6-acetyloxy-11-(furan-3-yl)-4,8-dimethyl-1-((2S)-2-methyl-5-oxooxolan-2-yl)undeca-4,8-dienyl) acetate
[(1R,4E,6S,8E)-6-acetyloxy-11-(furan-3-yl)-4,8-dimethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]undeca-4,8-dienyl] acetate
[(1R,4E,8E)-6-acetyloxy-11-(furan-3-yl)-4,8-dimethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]undeca-4,8-dienyl] acetate
RefChem:148691
CHEMBL1823122
CHEBI:69464
Q27137802

2D Structure

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2D Structure of Irciformonin F

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 99.23% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.23% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.13% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.11% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.49% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.01% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.49% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.47% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.46% 90.71%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.26% 100.00%
CHEMBL3922 P50579 Methionine aminopeptidase 2 82.83% 97.28%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.92% 93.00%
CHEMBL3401 O75469 Pregnane X receptor 80.78% 94.73%

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 54669793
LOTUS LTS0216074
wikiData Q27137802