N-Vanillyldecanamide

Details

• Internal ID: b4346624-145f-48e6-ac59-fae04c34bcda
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
• SMILES (Canonical): CCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
• SMILES (Isomeric): CCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
• InChI: InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-18(21)19-14-15-11-12-16(20)17(13-15)22-2/h11-13,20H,3-10,14H2,1-2H3,(H,19,21)
• InChI Key: QLHTWDQJPOTDMV-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₉NO₃
• Molecular Weight: 307.40 g/mol
• Exact Mass: 307.21474379 g/mol
• Topological Polar Surface Area (TPSA): 58.60 Ų
• XlogP: 4.70

Synonyms

• 31078-36-1
• Decylic acid vanillylamide
• n-(4-hydroxy-3-methoxybenzyl)decanamide
• BRN 2946587
• UNII-18EB43C97X
• N-((4-Hydroxy-3-methoxyphenyl)methyl)decanamide
• Decanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
• 18EB43C97X
• Decanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
• VANILLYL N-DECOYLAMIDE
• CHEMBL86708
• DECANAMIDE, N-VANILLYL-
• CAPRIC ACID VANILLYLAMIDE
• DTXSID00185028
• N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
• N-Vanillyldecanamide; Vanillyl N-decoylamide
• N-[(4-Hydroxy-3-methoxyphenyl)methyl]-decanamide (N-Vanillyldecanamide)
• N-[(4-Hydroxy-3-methoxyphenyl)methyl]-decanamide; N-Vanillyldecanamide
• SCHEMBL1155582
• DTXCID10107519
• HY-N5099
• BDBM50388087
• AKOS027327162
• N-(4-hydroxy-3-methoxybenzyl)decamide
• BS-49204
• CS-0032363
• FT-0775599
• DECANYLVANILLYLAMIDE (CONSTITUENT OF CAPSICUM)
• Q27252000
• DECANYLVANILLYLAMIDE (CONSTITUENT OF CAPSICUM) [DSC]

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	99.19%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	99.03%	99.17%
CHEMBL2581	P07339	Cathepsin D	98.75%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.46%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.55%	92.08%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	91.93%	97.29%
CHEMBL2535	P11166	Glucose transporter	90.95%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	90.84%	90.20%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.10%	94.45%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	87.93%	95.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.79%	95.56%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	82.18%	96.67%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.70%	90.71%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.50%	95.50%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	81.25%	92.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.02%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.88%	96.95%
CHEMBL4208	P20618	Proteasome component C5	80.48%	90.00%

Plants that contains it

• Capsicum annuum

Cross-Links

• PubChem: 169252
• LOTUS: LTS0040553
• wikiData: Q27252000