Pyriferine A

Details

• Internal ID: 103255de-d9e4-4627-b873-1eee7f2bebc8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters
• IUPAC Name: (7R)-7-amino-2-[hydroxy-[(2R,5S)-2-hydroxy-5-methoxy-2-methyl-6-oxocyclohexylidene]methyl]-2-methyl-1,3-oxazocane-4,8-dione
• SMILES (Canonical): CC1(CCC(C(=O)C1=C(C2(NC(=O)CCC(C(=O)O2)N)C)O)OC)O
• SMILES (Isomeric): C[C@]1(CC[C@@H](C(=O)C1=C(C2(NC(=O)CC[C@H](C(=O)O2)N)C)O)OC)O
• InChI: InChI=1S/C16H24N2O7/c1-15(23)7-6-9(24-3)12(20)11(15)13(21)16(2)18-10(19)5-4-8(17)14(22)25-16/h8-9,21,23H,4-7,17H2,1-3H3,(H,18,19)/t8-,9+,15-,16?/m1/s1
• InChI Key: HIOTXNMZYVEMGZ-PUFAUJBQSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₄N₂O₇
• Molecular Weight: 356.37 g/mol
• Exact Mass: 356.15835111 g/mol
• Topological Polar Surface Area (TPSA): 148.00 Ų
• XlogP: -1.20

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	98.40%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.96%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.94%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.07%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.35%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.71%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.66%	92.94%
CHEMBL2581	P07339	Cathepsin D	87.55%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.46%	99.23%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.95%	93.04%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.33%	95.89%
CHEMBL3231	Q13464	Rho-associated protein kinase 1	84.57%	95.55%
CHEMBL1937	Q92769	Histone deacetylase 2	83.74%	94.75%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.27%	100.00%
CHEMBL3820	P35557	Hexokinase type IV	83.03%	91.96%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	82.11%	92.88%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.76%	91.71%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.61%	97.14%
CHEMBL340	P08684	Cytochrome P450 3A4	80.31%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139586985
• LOTUS: LTS0193210
• wikiData: Q77518848