1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol

Details

• Internal ID: 7b24b057-afc4-461d-a733-2171a1c9f0bf
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
• IUPAC Name: 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
• InChI: InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3
• InChI Key: MHUYBIUXLMLCJM-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30 g/mol
• Exact Mass: 192.151415257 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 2.90

Synonyms

• SCHEMBL1245659
• CHEBI:177980
• DTXSID101019722
• 97866-86-9
• 1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
• 2,2,6,7-tetramethyl bicyclo(4,3,0)nona-4,9(1)-dien-8-ol
• 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-ol
• 2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol

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
CHEMBL4040	P28482	MAP kinase ERK2	99.22%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.60%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.55%	91.11%
CHEMBL4208	P20618	Proteasome component C5	82.39%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.25%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.22%	92.94%

Plants that contains it

• Cydonia oblonga

Cross-Links

• PubChem: 66963592
• LOTUS: LTS0059896
• wikiData: Q105164199