(2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol

Details

• Internal ID: e6f294dd-f340-4a4e-840b-e56716d2fe4a
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (2S,3R,4R)-2,3,4,5-tetramethylhexane-1,2,3,4,5-pentol
• SMILES (Canonical): CC(C)(C(C)(C(C)(C(C)(CO)O)O)O)O
• SMILES (Isomeric): C[C@](CO)([C@](C)([C@@](C)(C(C)(C)O)O)O)O
• InChI: InChI=1S/C10H22O5/c1-7(2,12)9(4,14)10(5,15)8(3,13)6-11/h11-15H,6H2,1-5H3/t8-,9+,10+/m0/s1
• InChI Key: YNWGIYBRIPKRJK-IVZWLZJFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₂O₅
• Molecular Weight: 222.28 g/mol
• Exact Mass: 222.14672380 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: -1.80

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.39%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.87%	96.09%
CHEMBL2581	P07339	Cathepsin D	82.98%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.63%	85.14%

Plants that contains it

• Cnidium monnieri

Cross-Links

• PubChem: 34085051
• LOTUS: LTS0216793
• wikiData: Q105351135