1,6-Dimethyl-4-(propan-2-yl)-1,2,3,4,4a,5-hexahydronaphthalene

Details

• Internal ID: 080b90b2-b291-48ab-9106-3d0d7f864cf6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5-hexahydronaphthalene
• InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,10,12-13,15H,6,8-9H2,1-4H3
• InChI Key: AZXCUUQXJRYXTP-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35 g/mol
• Exact Mass: 204.187800766 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.50

Synonyms

• DTXSID30557517
• 1,6-Dimethyl-4-(propan-2-yl)-1,2,3,4,4a,5-hexahydronaphthalene
• hexahydro-4-i-propyl-1,6-dimethylnaphthalene

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.88%	97.25%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	91.77%	86.00%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	90.28%	97.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.56%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.80%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.48%	95.56%
CHEMBL2581	P07339	Cathepsin D	86.47%	98.95%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.17%	94.80%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.98%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.65%	89.62%

Plants that contains it

• Betonica officinalis

Cross-Links

• PubChem: 14217626
• LOTUS: LTS0081414
• wikiData: Q82439464