4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene

Details

• Internal ID: 145c3d04-8a8e-48ce-a026-5751cb327d1d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
• SMILES (Canonical): CC1CCCC2(C1CC(C=C2)C(=C)C)C
• SMILES (Isomeric): CC1CCCC2(C1CC(C=C2)C(=C)C)C
• InChI: InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,9,12-14H,1,5-6,8,10H2,2-4H3
• InChI Key: VTGQKWZAEGHONH-UHFFFAOYSA-N
• Popularity: 0 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: 5.90

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.89%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.06%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.76%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	93.23%	83.82%
CHEMBL1951	P21397	Monoamine oxidase A	91.93%	91.49%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.43%	97.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.36%	85.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.69%	100.00%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.65%	93.04%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.20%	92.94%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.14%	95.50%

Plants that contains it

• Frullania tamarisci

Cross-Links

• PubChem: 14355697
• LOTUS: LTS0217472
• wikiData: Q105292723