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Compounds
ALA3728897

cis-4-isopropyl-cyclohexyl-methanol

ID: ALA3728897

Cas Number: 5502-75-0

PubChem CID: 83763

Max Phase: Preclinical

Molecular Formula: C10H20O

Molecular Weight: 156.27

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC(C)[C@H]1CC[C@@H](CO)CC1

Standard InChI: InChI=1S/C10H20O/c1-8(2)10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3/t9-,10+

Standard InChI Key: KHWTYGFHPHRQMP-AOOOYVTPSA-N

Molfile:

     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387   -0.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6387    0.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6024    2.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  1  6  1  0
  7  8  1  0
  1  7  1  6
  9 10  1  0
  9 11  1  0
  4  9  1  6
M  END

Alternative Forms

Parent:

ALA3728897
p-Menthan-7-ol

Associated Targets(Human)

OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)

Discover Target: OR5K1

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

Molecule Features

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

Drug Indications

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

Mechanisms of Action

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

Calculated Properties

Molecular Weight: 156.27	Molecular Weight (Monoisotopic): 156.1514	AlogP: 2.44	#Rotatable Bonds: 2
Polar Surface Area: 20.23	Molecular Species: NEUTRAL	HBA: 1	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 1	HBD (Lipinski): 1	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: 2.61	CX LogD: 2.61
Aromatic Rings: ┄	Heavy Atoms: 11	QED Weighted: 0.65	Np Likeness Score: 0.70

References

1. (2013) Agent for inhibiting odor of pyrazine derivatives,

Source

Source(1):

Patent Bioactivity Data

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