2-methyl-5-[(Z)-nonadec-14-enyl]benzene-1,3-diol

Details

• Internal ID: e9347a27-5558-493d-9ed6-6a0552905623
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 2-methyl-5-[(Z)-nonadec-14-enyl]benzene-1,3-diol
• InChI: InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23(2)26(28)22-24/h6-7,21-22,27-28H,3-5,8-20H2,1-2H3/b7-6-
• InChI Key: FAJDSHHMATYERG-SREVYHEPSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₄₄O₂
• Molecular Weight: 388.60 g/mol
• Exact Mass: 388.334130642 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 10.60

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	97.31%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	96.19%	92.08%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.93%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.75%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.74%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	89.02%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.14%	86.33%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	83.16%	97.21%
CHEMBL1781	P11387	DNA topoisomerase I	82.93%	97.00%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	82.74%	95.58%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	82.63%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.44%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.73%	95.56%

Plants that contains it

• Ardisia silvestris

Cross-Links

• PubChem: 102063110
• LOTUS: LTS0071872
• wikiData: Q104992293