5-((Z)-undec-3-en-1-yl)resorcinol

Details

• Internal ID: 5c6a2254-f5a4-4852-8c28-7ef9f20c760e
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 5-[(Z)-undec-3-enyl]benzene-1,3-diol
• InChI: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-16(18)14-17(19)13-15/h8-9,12-14,18-19H,2-7,10-11H2,1H3/b9-8-
• InChI Key: KBZMDBAMUVCKBO-HJWRWDBZSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₆O₂
• Molecular Weight: 262.40 g/mol
• Exact Mass: 262.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 6.00

Synonyms

• (Z)-5-(undec-3-en-1-yl)benzene-1,3-diol
• cis-5-n-Undec-3-enylresorcin
• LMPK15030015

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
CHEMBL3060	Q9Y345	Glycine transporter 2	97.28%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	97.07%	92.08%
CHEMBL2581	P07339	Cathepsin D	97.00%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.53%	91.11%
CHEMBL240	Q12809	HERG	93.27%	89.76%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.75%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	86.76%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.58%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.37%	96.95%
CHEMBL230	P35354	Cyclooxygenase-2	83.26%	89.63%
CHEMBL1781	P11387	DNA topoisomerase I	83.08%	97.00%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	82.57%	100.00%
CHEMBL242	Q92731	Estrogen receptor beta	81.50%	98.35%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	80.44%	97.29%

Plants that contains it

• Persoonia elliptica

Cross-Links

• PubChem: 12314118
• LOTUS: LTS0076841
• wikiData: Q76422786