Multiforisin C

Details

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Internal ID 66e772a8-35eb-4410-9af7-76bd6330f763
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
IUPAC Name [(5R,7S)-4,5-dimethoxy-7-methyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyran-3-yl]methyl acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H18O7/c1-7-5-10-11(14(18-4)20-7)12(17-3)9(13(16)21-10)6-19-8(2)15/h7,14H,5-6H2,1-4H3/t7-,14+/m0/s1
InChI Key JWDVWAUYGXBPCU-JKYUHCHBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H18O7
Molecular Weight 298.29 g/mol
Exact Mass 298.10525291 g/mol
Topological Polar Surface Area (TPSA) 80.30 Ų
XlogP -0.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Multiforisin 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.25% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.37% 85.14%
CHEMBL2581 P07339 Cathepsin D 90.51% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.77% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.28% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.62% 94.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.03% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.99% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.42% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.60% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 84.37% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 83.49% 91.19%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.13% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.77% 86.33%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.98% 94.33%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 81.88% 96.39%

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 101919119
LOTUS LTS0082486
wikiData Q77376465