Cadopherone C

Details

• Internal ID: d2cbaac3-1d19-410e-9057-4da48f29cde2
• Taxonomy: Organoheterocyclic compounds > Lactones > Delta valerolactones
• IUPAC Name: [(2S,3R,4R)-2,3-dimethyl-6-oxooxan-4-yl]methyl 2-methylbutanoate
• SMILES (Canonical): CCC(C)C(=O)OCC1CC(=O)OC(C1C)C
• SMILES (Isomeric): CCC(C)C(=O)OC[C@@H]1CC(=O)O[C@H]([C@@H]1C)C
• InChI: InChI=1S/C13H22O4/c1-5-8(2)13(15)16-7-11-6-12(14)17-10(4)9(11)3/h8-11H,5-7H2,1-4H3/t8?,9-,10-,11-/m0/s1
• InChI Key: GBCSRVYNAGEKSG-KQFSYOIOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₂O₄
• Molecular Weight: 242.31 g/mol
• Exact Mass: 242.15180918 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 2.60

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.43%	97.25%
CHEMBL2581	P07339	Cathepsin D	95.79%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.10%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.66%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	91.26%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.17%	97.09%
CHEMBL299	P17252	Protein kinase C alpha	86.20%	98.03%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.59%	91.11%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	84.05%	96.47%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.77%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.86%	90.71%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.05%	89.34%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.37%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590913
• LOTUS: LTS0066680
• wikiData: Q105005768