3-Nonadec-16-enylphenol

Details

• Internal ID: 80150e9b-c848-467d-b171-44f5190834fa
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
• IUPAC Name: 3-nonadec-16-enylphenol
• InChI: InChI=1S/C25H42O/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/h3-4,19,21-23,26H,2,5-18,20H2,1H3
• InChI Key: JRYABHVBSWEOHA-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₂O
• Molecular Weight: 358.60 g/mol
• Exact Mass: 358.323565959 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 10.70

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
CHEMBL2581	P07339	Cathepsin D	98.37%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	95.12%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.70%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.50%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.54%	92.08%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.43%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	91.09%	94.73%
CHEMBL236	P41143	Delta opioid receptor	90.29%	99.35%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.42%	95.56%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.84%	91.71%
CHEMBL1781	P11387	DNA topoisomerase I	82.38%	97.00%
CHEMBL233	P35372	Mu opioid receptor	81.18%	97.93%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.70%	94.45%
CHEMBL5203	P33316	dUTP pyrophosphatase	80.52%	99.18%

Plants that contains it

• Searsia thyrsiflora

Cross-Links

• PubChem: 85121272
• LOTUS: LTS0216218
• wikiData: Q105134177