2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

Details

• Internal ID: 2512c02f-a8ee-48b5-b60f-373fac4f7539
• Taxonomy: Organoheterocyclic compounds > Heteroaromatic compounds
• IUPAC Name: 2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
• InChI: InChI=1S/C20H32O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,12,16-17,21H,6-7,9-11,13H2,1-5H3
• InChI Key: GWTHBPSLWRXRSF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.50 g/mol
• Exact Mass: 304.240230259 g/mol
• Topological Polar Surface Area (TPSA): 33.40 Ų
• XlogP: 5.50

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.18%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.36%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.05%	97.09%
CHEMBL2581	P07339	Cathepsin D	87.94%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.67%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.10%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.55%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.37%	95.56%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	85.33%	89.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.79%	92.94%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.19%	92.62%

Plants that contains it

• Nicotiana tomentosa

Cross-Links

• PubChem: 15241249
• LOTUS: LTS0128824
• wikiData: Q105022737