5-(3-Hydroxy-3-methylbut-1-enyl)-2-methylcyclohex-5-ene-1,2,4-triol

Details

• Internal ID: c4a27b80-e52c-403c-af6a-53be4468473e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives
• IUPAC Name: 5-(3-hydroxy-3-methylbut-1-enyl)-2-methylcyclohex-5-ene-1,2,4-triol
• InChI: InChI=1S/C12H20O4/c1-11(2,15)5-4-8-6-10(14)12(3,16)7-9(8)13/h4-6,9-10,13-16H,7H2,1-3H3
• InChI Key: KLZSJMCXTDLPSF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₄
• Molecular Weight: 228.28 g/mol
• Exact Mass: 228.13615911 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: -1.00

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.55%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.08%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.67%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	84.18%	90.17%
CHEMBL2581	P07339	Cathepsin D	83.22%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.13%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.44%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.76%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 74192694
• LOTUS: LTS0072588
• wikiData: Q104170409