CID 162858926

Details

• Internal ID: 6330b5c2-f661-464d-9833-8b6188667868
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
• InChI: InChI=1S/C24H30O9/c1-14-10-19(32-16(3)26)23(13-30-15(2)25)21(12-31-21)7-5-8-24(23,28)22(14)11-18(33-20(22)27)17-6-4-9-29-17/h4,6,9,14,18-19,28H,5,7-8,10-13H2,1-3H3/t14-,18+,19-,21+,22+,23+,24+/m1/s1
• InChI Key: JIGOFMYARFMZGE-LPBXKUOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₀O₉
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.18898253 g/mol
• Topological Polar Surface Area (TPSA): 125.00 Ų
• XlogP: 1.10

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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	98.58%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.85%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.19%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.12%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.07%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.01%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.45%	97.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.33%	95.50%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	88.11%	82.69%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.97%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.06%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.00%	99.23%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.28%	85.14%

Plants that contains it

• Teucrium fruticans

Cross-Links

• PubChem: 162858926
• LOTUS: LTS0130230
• wikiData: Q105129020