3-Nonadecylphenol

Details

• Internal ID: d2d5fb06-aa67-4b11-b873-87370f617765
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
• IUPAC Name: 3-nonadecylphenol
• SMILES (Canonical): CCCCCCCCCCCCCCCCCCCC1=CC(=CC=C1)O
• SMILES (Isomeric): CCCCCCCCCCCCCCCCCCCC1=CC(=CC=C1)O
• InChI: InChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h19,21-23,26H,2-18,20H2,1H3
• InChI Key: CVAJGZCZYKYYFH-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₄O
• Molecular Weight: 360.60 g/mol
• Exact Mass: 360.339216023 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 11.60

Synonyms

• CHEBI:186844
• LMPK15010006

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	98.95%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	98.00%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.25%	96.09%
CHEMBL240	Q12809	HERG	93.23%	89.76%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.94%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.35%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	92.05%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.47%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	86.68%	93.31%
CHEMBL1951	P21397	Monoamine oxidase A	84.16%	91.49%
CHEMBL5805	Q9NR97	Toll-like receptor 8	83.46%	96.25%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.04%	91.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.38%	95.56%
CHEMBL2535	P11166	Glucose transporter	80.65%	98.75%

Plants that contains it

• Searsia thyrsiflora

Cross-Links

• PubChem: 85537989
• LOTUS: LTS0077425
• wikiData: Q104970615