OlfactionBase: A repository of Odors, Odorants, Olfactory Receptors and related information
  1. Home
  2. Odorants

Mercapto-p-menthan-3-one

Odors

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

Odor Profile

Strength: high

General Information

Common Name: Mercapto-p-menthan-3-one
IUPAC Name: (Z+E)-laevo-mercapto-para-menthan-3-one
Molecular Formula: C10H18OS
SMILES: null
Inchi: null
Inchi Key:
Cas No: 29725-66-4

Functional Group

Ketones
Thiols

Drug Likeness

Name Value
Lipinski Violations
Ghose Violations
Veber Violations
Egan Violations
Muegge Violations

Cross References

PubChem: 135323547
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol)
Mass (g/mol)
Molar Refractivity
Net Charge
HBD
HBA
Rt Bonds
Rings
TPSA
Hetero Atoms
Heavy Atoms
Aromatic Heavy Atoms
Melting Point (°C)
Boiling Point (°C@760.00mm Hg) 261.00 to 262.00
Vapor Pressure (mmHg@25.00 °C) 0.012
Vapor Density (Air =1)
Fraction Csp3
LogP
iLOGP
XLOGP3
WLOGP
MLOGP
ESOL Log S
ESOL Solubility (mg/ml)
ESOL Solubility (mol/l)
ESOL Class: esol_class null
Ali Log S
Ali Solubility (mg/ml)
Ali Solubility (mol/l)
Ali Class null
Silicos-IT LogSw
Silicos-IT Solubility (mg/ml)
Silicos-IT Solubility (mol/l)
Silicos-IT Class null

Pharmacokinetic profile

Name Value
GI Absorption null
BBB Permeable
PgP Substrate
Log Kp (cm/s)
Bioavailability Score
Caco2
Human Intestinal Absorption
Plasm Protein Binding
CYP1A2 Inhibitor
CYP2C19 Inhibitor
CYP2C9 Inhibitor
CYP2D6 inhibitor
CYP3A4 inhibitor
Ames mutagenesis
Acute Oral Toxicity
Carcinogenicity (Binary)
Carcinogenicity (Trinary) null
Eye Irritation
Hepatotoxicity
Androgen Receptor Binding
Aromatase Binding
Estrogen Receptor Binding
Glucocorticoid Receptor Binding
Thyroid Receptor Binding
BRCP inhibitor
BSEP inhibitor
OATP1B1 inhibitor
OATP1B3 inhibitor
OATP2B1 inhibitor
OCT1 inhibitor
OCT2 inhibitor