(3,3,4,4,7a-Pentamethyl-1,2,3a,5-tetrahydroinden-2-yl)methanol

Details

• Internal ID: 37643483-052a-48a2-ae5e-17c02d9a1778
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: (3,3,4,4,7a-pentamethyl-1,2,3a,5-tetrahydroinden-2-yl)methanol
• SMILES (Canonical): CC1(CC=CC2(C1C(C(C2)CO)(C)C)C)C
• SMILES (Isomeric): CC1(CC=CC2(C1C(C(C2)CO)(C)C)C)C
• InChI: InChI=1S/C15H26O/c1-13(2)7-6-8-15(5)9-11(10-16)14(3,4)12(13)15/h6,8,11-12,16H,7,9-10H2,1-5H3
• InChI Key: FZQSFFXBKWKOFG-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: 4.10

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	97.41%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.82%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.31%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.02%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.48%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	83.01%	97.79%
CHEMBL226	P30542	Adenosine A1 receptor	82.58%	95.93%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.17%	85.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.01%	100.00%

Plants that contains it

• Ligusticum grayi

Cross-Links

• PubChem: 163034935
• LOTUS: LTS0128764
• wikiData: Q105005126