5-heptadeca-8'Z,11'Z,16-trienylresorcinol

Details

• Internal ID: d361e1b4-b789-40c5-b9a4-7771480be1b0
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: 5-[(8Z,11Z)-heptadeca-8,11,16-trienyl]benzene-1,3-diol
• InChI: InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h2,6-7,9-10,18-20,24-25H,1,3-5,8,11-17H2/b7-6-,10-9-
• InChI Key: MFQASGNLRRKBQG-HZJYTTRNSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₃₄O₂
• Molecular Weight: 342.50 g/mol
• Exact Mass: 342.255880323 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 8.00

Synonyms

• 5-heptadeca-8'Z,11'Z,16-trienylresorcinol

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	94.64%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.30%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.16%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.64%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.59%	96.09%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	84.87%	83.57%
CHEMBL233	P35372	Mu opioid receptor	82.83%	97.93%
CHEMBL242	Q92731	Estrogen receptor beta	81.99%	98.35%
CHEMBL239	Q07869	Peroxisome proliferator-activated receptor alpha	81.38%	90.75%
CHEMBL3401	O75469	Pregnane X receptor	80.80%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11573713
• LOTUS: LTS0201278
• wikiData: Q77373928