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Ustilagic acid C

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 0ec0ef2a-6d63-421f-806e-1c7d19ab94eb
Taxonomy Lipids and lipid-like molecules > Saccharolipids
IUPAC Name 16-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H44O11/c1-16(25)33-15-19-20(28)21(29)22(30)24(35-19)34-14-17(26)12-10-8-6-4-2-3-5-7-9-11-13-18(27)23(31)32/h17-22,24,26-30H,2-15H2,1H3,(H,31,32)/t17?,18?,19-,20-,21+,22-,24-/m1/s1
InChI Key YGXTZJOFTJKTTP-ZCCFEISWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H44O11
Molecular Weight 508.60 g/mol
Exact Mass 508.28836222 g/mol
Topological Polar Surface Area (TPSA) 183.00 Ų
XlogP 2.10

Synonyms

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16-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,15-dihydroxyhexadecanoic acid
16-((2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl)oxy-2,15-dihydroxyhexadecanoic acid
RefChem:193374
CHEBI:197857

2D Structure

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2D Structure of Ustilagic acid 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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.47% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.24% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.56% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.00% 85.14%
CHEMBL4040 P28482 MAP kinase ERK2 89.70% 83.82%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.67% 97.21%
CHEMBL3401 O75469 Pregnane X receptor 87.78% 94.73%
CHEMBL5255 O00206 Toll-like receptor 4 86.72% 92.50%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.25% 97.29%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.50% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.40% 96.95%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 84.28% 95.89%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.23% 96.47%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.97% 97.25%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.38% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.60% 94.33%

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 71764694
LOTUS LTS0184998
wikiData Q75056822