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Record Information
Version	2.0
Creation Date	2015-06-04 15:59:28 -0600
Update Date	2015-08-05 16:22:04 -0600
Secondary Accession Numbers	ECMDB23813
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	MOLSDF3D-SDFPDBSMILESInChI View 3D Structure × Structure for #<Compound:0xaa356664> Close
Synonyms:	Value Source 2-(all-trans-Polyprenyl)phenol Kegg
Chemical Formula:	(C5H8)nC11H14O
Weight:	Average: Not Available Monoisotopic: 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
Description	belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Kingdom	Organic compounds
Super Class	Lipids and lipid-like molecules
Class	Prenol lipids
Sub Class	Monoterpenoids
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Substituents	Monocyclic monoterpenoid Aromatic monoterpenoid 1-hydroxy-4-unsubstituted benzenoid 1-hydroxy-2-unsubstituted benzenoid Phenol Benzenoid Monocyclic benzene moiety Organic oxygen compound Hydrocarbon derivative Organooxygen compound Aromatic homomonocyclic compound
Molecular Framework	Aromatic homomonocyclic compounds
External Descriptors	Other Prenol lipids (C05807 )
Physical Properties
State:	Not Available
Charge:	Not Available
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 0.03 g/L ALOGPS logP 5.23 ALOGPS logS -3.9 ALOGPS Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	2-Polyprenylphenol + Carbon dioxide + 4-Hydroxy-3-polyprenylbenzoate <> 4-Hydroxy-3-polyprenylbenzoate + 2-Polyprenylphenol
SMPDB Pathways:	Not Available
KEGG Pathways:	Metabolic pathways eco01100 Ubiquinone and other terpenoid-quinone biosynthesis ec00130
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-001i-1690000000-bd55264196211b227c9d View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-0aw9-3910000000-69a3518f8ebf7fec445e View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-0ldi-9300000000-2885cdc4201e9d072612 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-004i-0090000000-152dfb41abda4f837314 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-004i-0190000000-0fd9f02f3e7407d9b4ab View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-0a4l-3920000000-b911899bef4b501f8c40 View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID Not Available HMDB ID Not Available Pubchem Compound ID 5280829 Kegg ID C05807 ChemSpider ID Not Available Wikipedia ID Not Available BioCyc ID Not Available

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