3-[2-[(1S,2R)-1,2,5-trimethyl-3,4-dihydro-2H-naphthalen-1-yl]ethyl]furan

Details

• Internal ID: 40bdd25d-e134-419b-9214-e30322c63335
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: 3-[2-[(1S,2R)-1,2,5-trimethyl-3,4-dihydro-2H-naphthalen-1-yl]ethyl]furan
• InChI: InChI=1S/C19H24O/c1-14-5-4-6-18-17(14)8-7-15(2)19(18,3)11-9-16-10-12-20-13-16/h4-6,10,12-13,15H,7-9,11H2,1-3H3/t15-,19+/m1/s1
• InChI Key: AGGPUUMEPJTKDC-BEFAXECRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O
• Molecular Weight: 268.40 g/mol
• Exact Mass: 268.182715385 g/mol
• Topological Polar Surface Area (TPSA): 13.10 Ų
• XlogP: 5.80

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	95.11%	98.95%
CHEMBL5805	Q9NR97	Toll-like receptor 8	92.81%	96.25%
CHEMBL2996	Q05655	Protein kinase C delta	91.07%	97.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.05%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.80%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.40%	97.09%
CHEMBL1907	P15144	Aminopeptidase N	90.09%	93.31%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.37%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.18%	86.33%
CHEMBL240	Q12809	HERG	89.09%	89.76%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.63%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.21%	95.89%
CHEMBL4444	P04070	Vitamin K-dependent protein C	85.35%	93.89%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	83.39%	95.34%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	81.51%	81.29%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	80.32%	90.71%

Plants that contains it

• Croton cortesianus

Cross-Links

• PubChem: 162950340
• LOTUS: LTS0218709
• wikiData: Q104911760