Cyclohexane-1,2,3,4,5-pentol

Details

• Internal ID: 6f903b53-d3ad-476c-a1b2-1518fc1058a6
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols
• IUPAC Name: (1S,2R,4R,5S)-cyclohexane-1,2,3,4,5-pentol
• SMILES (Canonical): C1C(C(C(C(C1O)O)O)O)O
• SMILES (Isomeric): C1[C@@H]([C@H](C([C@@H]([C@H]1O)O)O)O)O
• InChI: InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m0/s1
• InChI Key: IMPKVMRTXBRHRB-QMKXCQHVSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₅
• Molecular Weight: 164.16 g/mol
• Exact Mass: 164.06847348 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: -2.70

Synonyms

• 17278-12-5
• cyclohexane-1,2,3,4,5-pentol
• SCHEMBL14542553

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
CHEMBL3137262	O60341	LSD1/CoREST complex	85.12%	97.09%
CHEMBL4040	P28482	MAP kinase ERK2	84.61%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.31%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.65%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	80.64%	95.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.32%	97.25%

Plants that contains it

• Cyclea barbata

Cross-Links

• PubChem: 12309654
• LOTUS: LTS0042044
• wikiData: Q105115839