CID 162919008

Details

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Internal ID 1402091e-26c6-4519-b596-7c477c2c9621
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives
IUPAC Name
SMILES (Canonical) CC1CC(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC(C25CO5)O)COC(=O)C)O
SMILES (Isomeric) CC1CC(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC(C25CO5)O)COC(=O)C)O
InChI InChI=1S/C24H32O9/c1-13-8-20(28)23(11-30-14(2)25)18(4-5-19(27)24(23)12-31-24)22(13)9-17(16-6-7-29-10-16)33-21(22)32-15(3)26/h6-7,10,13,17-21,27-28H,4-5,8-9,11-12H2,1-3H3
InChI Key XEAJUPNWARIHFK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H32O9
Molecular Weight 464.50 g/mol
Exact Mass 464.20463259 g/mol
Topological Polar Surface Area (TPSA) 128.00 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of CID 162919008

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 98.26% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.23% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.17% 97.09%
CHEMBL2581 P07339 Cathepsin D 92.46% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.31% 94.45%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 89.46% 94.80%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.10% 86.33%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.44% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.66% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.89% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.38% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.06% 95.56%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.21% 95.50%
CHEMBL5028 O14672 ADAM10 82.18% 97.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.67% 95.89%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.86% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.52% 89.00%
CHEMBL4040 P28482 MAP kinase ERK2 80.23% 83.82%

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.
Teucrium gracile

Cross-Links

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PubChem 162919008
LOTUS LTS0073079
wikiData Q105326202