Physoperuvine (CHEM024361)

Record Information
Version1.0
Creation Date2016-05-25 21:39:18 UTC
Update Date2026-04-06 02:22:34 UTC
Accession NumberCHEM024361
Identification
Common NamePhysoperuvine
ClassSmall Molecule
Description
Physoperuvine is found in fruits. Physoperuvine is an alkaloid from Physalis peruviana (Cape gooseberry
Contaminant Sources
  • FooDB Chemicals
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
1-HydroxytropaneHMDB
1-TropanolHMDB
4-(Methylamino)cycloheptanone, 9ciHMDB
8-Methyl-8-azabicyclo[3.2.1]octan-1-ol, 9ciHMDB
Chemical FormulaC8H15NO
Average Molecular Mass141.211 g/mol
Monoisotopic Mass141.115 g/mol
CAS Registry Number60723-27-5
IUPAC Name(5S)-8-methyl-8-azabicyclo[3.2.1]octan-1-ol
Traditional Name(5S)-8-methyl-8-azabicyclo[3.2.1]octan-1-ol
SMILESCN1[C@@H]2CCC1(O)CCC2
InChI IdentifierInChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3/t7-,8?/m0/s1
InChI KeyBKWVNPXVPQOROM-JAMMHHFISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane.
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
ClassTropane alkaloids
Sub ClassNot Available
Direct ParentTropane alkaloids
Alternative Parents
Substituents
  • Tropane alkaloid
  • Piperidine
  • N-alkylpyrrolidine
  • Cyclic alcohol
  • Pyrrolidine
  • Hemiaminal
  • Alkanolamine
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility381 g/LALOGPS
logP0.68ALOGPS
logP0.92ChemAxon
logS0.43ALOGPS
pKa (Strongest Acidic)13.21ChemAxon
pKa (Strongest Basic)9.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area23.47 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity40.7 m³·mol⁻¹ChemAxon
Polarizability16.03 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0030338
FooDB IDFDB002181
Phenol Explorer IDNot Available
KNApSAcK IDC00002299
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID35013179
ChEBI IDNot Available
PubChem Compound ID131751003
Kegg Compound IDC10864
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.