(6Z,8E)-3-hydroxy-6-(hydroxymethyl)-2,8-dimethyldeca-6,8-dienamide

Details

• Internal ID: 10e23c39-f0b6-42da-af35-6eb8b7c7d677
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty amides
• IUPAC Name: (6Z,8E)-3-hydroxy-6-(hydroxymethyl)-2,8-dimethyldeca-6,8-dienamide
• SMILES (Canonical): CC=C(C)C=C(CCC(C(C)C(=O)N)O)CO
• SMILES (Isomeric): C/C=C(\C)/C=C(/CCC(C(C)C(=O)N)O)\CO
• InChI: InChI=1S/C13H23NO3/c1-4-9(2)7-11(8-15)5-6-12(16)10(3)13(14)17/h4,7,10,12,15-16H,5-6,8H2,1-3H3,(H2,14,17)/b9-4+,11-7-
• InChI Key: KBRCLHOSDIYDKO-SPHOUGGOSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₃NO₃
• Molecular Weight: 241.33 g/mol
• Exact Mass: 241.16779360 g/mol
• Topological Polar Surface Area (TPSA): 83.60 Ų
• XlogP: 1.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.03%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.65%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.33%	89.34%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.87%	91.11%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.04%	97.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.75%	99.17%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	87.61%	96.47%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.56%	94.45%
CHEMBL2885	P07451	Carbonic anhydrase III	86.54%	87.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.76%	96.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.90%	100.00%
CHEMBL3401	O75469	Pregnane X receptor	81.82%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139583575
• LOTUS: LTS0074501
• wikiData: Q75064071