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Cyclohexane-1,2,3,4,5,6-hexaol

ID: ALA1950780

Chembl Id: CHEMBL1950780

Max Phase: Preclinical

Molecular Formula: C6H12O6

Molecular Weight: 180.16

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Synonyms: (+)-Epi-Inositol | Cyclohexane-1,2,3,4,5,6-Hexaol

Canonical SMILES: O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O

Standard InChI: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6+

Standard InChI Key: CDAISMWEOUEBRE-NIPYSYMMSA-N

SLC5A11 Tchem Sodium/myo-inositol cotransporter 2 (4 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gaa Acidic alpha-glucosidase (551 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Si Sucrase-isomaltase (908 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: Yes	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 180.16	Molecular Weight (Monoisotopic): 180.0634	AlogP: -3.83	#Rotatable Bonds: ┄
Polar Surface Area: 121.38	Molecular Species: NEUTRAL	HBA: 6	HBD: 6
#RO5 Violations: 1	HBA (Lipinski): 6	HBD (Lipinski): 6	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 12.29	CX Basic pKa: ┄	CX LogP: -3.78	CX LogD: -3.78
Aromatic Rings: ┄	Heavy Atoms: 12	QED Weighted: 0.23	Np Likeness Score: 0.68

1. Ryan M, Smith MP, Vinod TK, Lau WL, Keana JF, Griffith OH.. (1996) Synthesis, structure-activity relationships, and the effect of polyethylene glycol on inhibitors of phosphatidylinositol-specific phospholipase C from Bacillus cereus., 39 (22): [PMID:8893831] [10.1021/jm960434y]
2. Worawalai W, Rattanangkool E, Vanitcha A, Phuwapraisirisan P, Wacharasindhu S.. (2012) Concise synthesis of (+)-conduritol F and inositol analogues from naturally available (+)-proto-quercitol and their glucosidase inhibitory activity., 22 (4): [PMID:22290077] [10.1016/j.bmcl.2012.01.007]
3. Sara Tremolada; Loredana Redaelli; Lia Scarabottolo. (2022) Membrane potential based assay for SLC5A11 using HEK-293 SLC5A11 OE cells, [10.5281/zenodo.7360579]

Source(2):