Curdepsidone G

Details

• Internal ID: 7b6f50ae-a390-4e3d-b42d-f4c0adcc6b65
• Taxonomy: Phenylpropanoids and polyketides > Depsides and depsidones
• IUPAC Name: 3-hydroxy-10-(hydroxymethyl)-8,9-dimethoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
• InChI: InChI=1S/C18H18O7/c1-8-5-10(20)6-12-14(8)25-16-11(7-19)17(23-4)15(22-3)9(2)13(16)18(21)24-12/h5-6,19-20H,7H2,1-4H3
• InChI Key: NEVJQYYLSXEXJX-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₈O₇
• Molecular Weight: 346.30 g/mol
• Exact Mass: 346.10525291 g/mol
• Topological Polar Surface Area (TPSA): 94.50 Ų
• XlogP: 2.40

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.49%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.52%	95.56%
CHEMBL2581	P07339	Cathepsin D	92.84%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.72%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.09%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	90.62%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.14%	94.45%
CHEMBL4208	P20618	Proteasome component C5	87.73%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.70%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.10%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.08%	99.23%
CHEMBL2535	P11166	Glucose transporter	81.39%	98.75%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.34%	99.15%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682941
• LOTUS: LTS0083891
• wikiData: Q105178214