1,2,3,4,5-Cyclohexanepentol

Details

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Internal ID a5340fed-292b-4234-99a7-5a852766e3ae
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols
IUPAC Name cyclohexane-1,2,3,4,5-pentol
SMILES (Canonical) C1C(C(C(C(C1O)O)O)O)O
SMILES (Isomeric) C1C(C(C(C(C1O)O)O)O)O
InChI InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2
InChI Key IMPKVMRTXBRHRB-UHFFFAOYSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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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

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Viburnitol
cyclohexane-1,2,3,4,5-pentol
2-Deoxy-myo-inositol
Inositol, 1-deoxy-
epi-Quercitol
cyclohexanepentol
62076-18-0
2-Deoxy-epi-inositol
1-L-1-deoxy-chiro-inositol
TRICLABENDAZOLESULFOXIDE
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1,2,3,4,5-Cyclohexanepentol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Albertisia delagoensis
Aristolochia ridicula
Cyclea barbata
Legnephora moorei
Manilkara hexandra
Myrsine pellucida
Quercus salicina
Viscum album
Viscum articulatum
Viscum coloratum

Cross-Links

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PubChem 101715
LOTUS LTS0134109
wikiData Q105115843