(3a,4,5,7a-Tetramethyl-3-methylidene-1,2,4,5,6,7-hexahydroinden-2-yl)methanol

Details

• Internal ID: 26345c08-768e-4bfa-b68d-c7ddb2085deb
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols
• IUPAC Name: (3a,4,5,7a-tetramethyl-3-methylidene-1,2,4,5,6,7-hexahydroinden-2-yl)methanol
• SMILES (Canonical): CC1CCC2(CC(C(=C)C2(C1C)C)CO)C
• SMILES (Isomeric): CC1CCC2(CC(C(=C)C2(C1C)C)CO)C
• InChI: InChI=1S/C15H26O/c1-10-6-7-14(4)8-13(9-16)12(3)15(14,5)11(10)2/h10-11,13,16H,3,6-9H2,1-2,4-5H3
• InChI Key: YXKRFZOMBQXIBR-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.90

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.38%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.01%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.06%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.01%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.69%	100.00%
CHEMBL1937	Q92769	Histone deacetylase 2	83.90%	94.75%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	83.78%	95.50%
CHEMBL226	P30542	Adenosine A1 receptor	81.36%	95.93%

Plants that contains it

• Ligusticum grayi

Cross-Links

• PubChem: 162902109
• LOTUS: LTS0135278
• wikiData: Q105367754