Guamamide

Details

• Internal ID: d03ddd7f-bc54-4353-9fe5-791a1f1f39bd
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives
• IUPAC Name: [3-acetyloxy-5-[[(2R)-2-hydroxy-4-methoxy-4-oxobutyl]amino]-4-methyl-5-oxopentan-2-yl] dodecanoate
• InChI: InChI=1S/C25H45NO8/c1-6-7-8-9-10-11-12-13-14-15-22(29)33-19(3)24(34-20(4)27)18(2)25(31)26-17-21(28)16-23(30)32-5/h18-19,21,24,28H,6-17H2,1-5H3,(H,26,31)/t18?,19?,21-,24?/m1/s1
• InChI Key: NKCAMZIYBHRHKW-IYGBNXAISA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₅NO₈
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.31451739 g/mol
• Topological Polar Surface Area (TPSA): 128.00 Ų
• XlogP: 4.70

Synonyms

• DTXSID901046901
• [3-acetyloxy-5-[[(2R)-2-hydroxy-4-methoxy-4-oxobutyl]amino]-4-methyl-5-oxopentan-2-yl] dodecanoate
• (3-acetyloxy-5-(((2R)-2-hydroxy-4-methoxy-4-oxobutyl)amino)-4-methyl-5-oxopentan-2-yl) dodecanoate
• RefChem:144614
• DTXCID101528713
• 3-(acetyloxy)-4-(((2R)-2-hydroxy-4-methoxy-4-oxobutyl)carbamoyl)-4-methylbutan-2-yl dodecanoate
• 657401-19-9
• CHEMBL457160
• SCHEMBL29367100
• CHEBI:211846

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	98.96%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.20%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	97.06%	97.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.75%	99.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	92.52%	92.86%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.60%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.38%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.21%	94.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.65%	93.56%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	88.20%	94.33%
CHEMBL4227	P25090	Lipoxin A4 receptor	88.13%	100.00%
CHEMBL2885	P07451	Carbonic anhydrase III	87.92%	87.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.89%	85.14%
CHEMBL240	Q12809	HERG	87.28%	89.76%
CHEMBL1293316	Q9HBX9	Relaxin receptor 1	86.90%	82.50%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.76%	97.21%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.61%	96.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	84.94%	100.00%
CHEMBL4040	P28482	MAP kinase ERK2	84.67%	83.82%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	84.35%	85.94%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	84.35%	92.08%
CHEMBL256	P0DMS8	Adenosine A3 receptor	84.26%	95.93%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.22%	100.00%
CHEMBL299	P17252	Protein kinase C alpha	83.57%	98.03%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.56%	96.90%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	83.42%	98.75%
CHEMBL5255	O00206	Toll-like receptor 4	82.60%	92.50%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.51%	96.95%
CHEMBL3437	Q16853	Amine oxidase, copper containing	82.32%	94.00%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	82.28%	95.17%
CHEMBL321	P14780	Matrix metalloproteinase 9	81.56%	92.12%
CHEMBL255	P29275	Adenosine A2b receptor	80.57%	98.59%
CHEMBL3401	O75469	Pregnane X receptor	80.44%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.36%	95.89%
CHEMBL213	P08588	Beta-1 adrenergic receptor	80.13%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11283187
• LOTUS: LTS0082922
• wikiData: Q77521506