2-Polyprenylphenol (PAMDB004477)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB004477
Identification
Name: 2-Polyprenylphenol
Description:A member of the class of phenols that is phenol in which the hydrogen at position 2 is replaced by a polyprenyl group
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: (C5H8)nC11H14O
Average Molecular Weight: Not Available
Monoisotopic Molecular Weight: Not Available
InChI Key: GWMVTXXXCDWZQS-SDNWHVSQSA-N
InChI:InChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-11,17H,6,8,12H2,1-3H3/b14-11+
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCC\C(C)=C\CC1=C(O)C=CC=C1
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassMonoterpenoids
Direct Parent Aromatic monoterpenoids
Alternative Parents
Substituents
  • Monocyclic monoterpenoid
  • Aromatic monoterpenoid
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular Framework Aromatic homomonocyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.0297 mg/mLALOGPS
logP5.23ALOGPS
logS-3.9ALOGPS
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
2-Polyprenylphenol + Carbon dioxide + 4-Hydroxy-3-polyprenylbenzoate <> 4-Hydroxy-3-polyprenylbenzoate + 2-Polyprenylphenol
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-1690000000-bd55264196211b227c9dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0aw9-3910000000-69a3518f8ebf7fec445eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0ldi-9300000000-2885cdc4201e9d072612View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0090000000-152dfb41abda4f837314View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0190000000-0fd9f02f3e7407d9b4abView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-3920000000-b911899bef4b501f8c40View in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound ID5280829
Kegg IDC05807
ChemSpider ID4444378
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
• 3-octaprenyl-4-hydroxybenzoate carboxy-lyase
General function:
Involved in carboxy-lyase activity
Specific function:
Catalyzes the decarboxylation of 3-octaprenyl-4-hydroxy benzoate to 2-octaprenylphenol
Gene Name:
ubiD
Locus Tag:
PA5237
Molecular weight:
54.6 kDa