Chrysotrione B

Details

• Internal ID: 29742a3c-74c0-450e-b459-8b648c193877
• Taxonomy: Organic acids and derivatives > Vinylogous acids
• IUPAC Name: 3-hydroxy-2-undecanoylcyclopenta-2,4-dien-1-one
• InChI: InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-9-10-13(17)16-14(18)11-12-15(16)19/h11-12,18H,2-10H2,1H3
• InChI Key: XWGJQTPQMMCMGQ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₄O₃
• Molecular Weight: 264.36 g/mol
• Exact Mass: 264.17254462 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 5.20

Synonyms

• CHEMBL220013

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
CHEMBL2581	P07339	Cathepsin D	97.02%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.68%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.18%	91.11%
CHEMBL230	P35354	Cyclooxygenase-2	89.58%	89.63%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.76%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.16%	92.08%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	87.08%	85.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.18%	95.56%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	85.11%	91.81%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.62%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.44%	99.23%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	80.29%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16104928
• LOTUS: LTS0063471
• wikiData: Q77484599