3beta-Hydroxy-beta-acorenol

Details

• Internal ID: 58664642-1059-4169-9553-3489fd969d23
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol
• InChI: InChI=1S/C15H26O2/c1-10-5-7-15(8-6-10)11(2)12(16)9-13(15)14(3,4)17/h5,11-13,16-17H,6-9H2,1-4H3/t11-,12-,13+,15+/m1/s1
• InChI Key: DAAXYWYGVVILBO-CXTNEJHOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.40

Synonyms

• (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro[4.5]dec-8-en-2-ol
• (1S,2R,4R,5R)-4-(2-hydroxypropan-2-yl)-1,8-dimethylspiro(4.5)dec-8-en-2-ol
• RefChem:95682
• CHEBI:207132

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	98.56%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.24%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.38%	96.09%
CHEMBL2996	Q05655	Protein kinase C delta	86.82%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.86%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.00%	95.56%
CHEMBL218	P21554	Cannabinoid CB1 receptor	83.72%	96.61%
CHEMBL1951	P21397	Monoamine oxidase A	82.83%	91.49%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.93%	100.00%
CHEMBL2581	P07339	Cathepsin D	80.82%	98.95%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.23%	92.94%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682793
• LOTUS: LTS0129064
• wikiData: Q104973372