ZP-amide C

Details

• Internal ID: bde88f28-28ce-4ef9-ace8-ba458b1848e5
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
• IUPAC Name: (2E,6Z,8E)-10,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8-trienamide
• SMILES (Canonical): CC(C(C=CC=CCCC=CC(=O)NCC(C)(C)O)O)O
• SMILES (Isomeric): CC(C(/C=C/C=C\CC/C=C/C(=O)NCC(C)(C)O)O)O
• InChI: InChI=1S/C16H27NO4/c1-13(18)14(19)10-8-6-4-5-7-9-11-15(20)17-12-16(2,3)21/h4,6,8-11,13-14,18-19,21H,5,7,12H2,1-3H3,(H,17,20)/b6-4-,10-8+,11-9+
• InChI Key: XZFVWEROJZOTMT-IJERFPBKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₇NO₄
• Molecular Weight: 297.39 g/mol
• Exact Mass: 297.19400834 g/mol
• Topological Polar Surface Area (TPSA): 89.80 Ų
• XlogP: 0.70

Synonyms

• 412316-38-2
• SCHEMBL14802132
• AKOS040734941
• FS-8437

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	96.00%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	93.48%	89.34%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.56%	85.14%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	91.60%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.72%	96.09%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	88.69%	95.71%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.96%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.62%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.80%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.32%	93.56%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.01%	94.33%
CHEMBL3401	O75469	Pregnane X receptor	83.01%	94.73%
CHEMBL3778	Q9NWZ3	Interleukin-1 receptor-associated kinase 4	82.61%	97.29%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	82.52%	98.75%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	82.52%	96.47%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	82.07%	97.29%
CHEMBL4015	P41597	C-C chemokine receptor type 2	80.86%	98.57%
CHEMBL1907588	P02708	Acetylcholine receptor; alpha1/beta1/delta/gamma	80.64%	98.33%
CHEMBL4040	P28482	MAP kinase ERK2	80.57%	83.82%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.29%	100.00%

Plants that contains it

• Zanthoxylum bungeanum

Cross-Links

• PubChem: 9839194
• LOTUS: LTS0182081
• wikiData: Q105344908