Showing Compound Fenchol (FDB013522)

Record Information

Version

1.0

Creation date

2010-04-08 22:10:46 UTC

Update date

2019-11-26 03:08:33 UTC

Primary ID

FDB013522

Secondary Accession Numbers

FDB005916
FDB029779

Chemical Information

FooDB Name

Fenchol

Description

Fenchol, also known as endo-fenchol or fenchyl alcohol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review a small amount of articles have been published on Fenchol.

CAS Number

1632-73-1

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
1,3,3-Trimethyl-2-norbornanol	MeSH
1,3,3-trimethylbicyclo(2.2.1)Heptan-2-ol	HMDB
1,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol	biospider
2-Fenchanol	HMDB
2-Norbornanol, 1,3,3-trimethyl-	biospider
3,3-Dimethyl-8,9-dinorbornan-2-ol	HMDB
endo-Fenchol	MeSH
FEMA 2480	HMDB
Fenchol	MeSH
Fenchol, ((endo)-(+-))-isomer	MeSH

Showing 1 to 10 of 18 entries

Predicted Properties

Property	Value	Source
Water Solubility	0.87 g/L	ALOGPS
logP	2.3	ALOGPS
logP	2.15	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Basic)	-0.52	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	45.16 m³·mol⁻¹	ChemAxon
Polarizability	18.51 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C10H18O

IUPAC name

1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

InChI Identifier

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3

InChI Key

IAIHUHQCLTYTSF-UHFFFAOYSA-N

Isomeric SMILES

CC1(C)C2CCC(C)(C2)C1O

Average Molecular Weight

154.2493

Monoisotopic Molecular Weight

154.135765198

Classification

Description

Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Fenchane monoterpenoid
Bicyclic monoterpenoid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Bicyclic monoterpenoids (C02344 )
Cyclic monoterpenes (C02344 )
a monoterpenol (CPD-685 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Biological location:

Cell and elements:

Extracellular

Naturally occurring process:

Biological process:

Biochemical process:

Chemical reaction:

Lipid peroxidation

Biochemical pathway:

Lipid metabolism pathway

Cellular process:

Cell signaling

Role

Industrial application:

Food and nutrition:

Flavoring agent

Biological role:

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	C 77.87%; H 11.76%; O 10.37%	DFC
Melting Point	Not Available
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9000000000-03610ff0a989a69cf478	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9100000000-2391ca66f3cd432bb0a2	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9200000000-5ec7cae22ebff3662328	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9000000000-6704d50bcfa35df1f886	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9100000000-97c1aaad48d62ad0ab30	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9200000000-de1f34c5e46838e35a67	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9000000000-03610ff0a989a69cf478	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9100000000-2391ca66f3cd432bb0a2	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9200000000-5ec7cae22ebff3662328	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9000000000-6704d50bcfa35df1f886	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9100000000-97c1aaad48d62ad0ab30	Spectrum
GC-MS	(-)-alpha-Fenchol, non-derivatized, GC-MS Spectrum	splash10-001i-9200000000-de1f34c5e46838e35a67	Spectrum
Predicted GC-MS	(-)-alpha-Fenchol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9400000000-5297f0b29688722df06c	Spectrum
Predicted GC-MS	(-)-alpha-Fenchol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-01x0-9520000000-7835ad73884f9d0dbde8	Spectrum
Predicted GC-MS	(-)-alpha-Fenchol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-052r-0900000000-ed507d1b1719e12edbc1	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-052r-1900000000-0fe0191c4bde6f56fa8c	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-05aa-9500000000-f103d6927c834ced2778	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0900000000-d7f7c5b94ca90ef60000	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0900000000-4ebc0294913d58ac18f5	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0fe0-2900000000-b92c9da7506b101aadc1	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0900000000-d2363ae8d4dbdcccda80	2021-09-21	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0900000000-d2363ae8d4dbdcccda80	2021-09-21	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-0900000000-459bafe52d5b103e88a6	2021-09-21	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-3900000000-4094f7230adb483cf7e5	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a5c-6900000000-aabed757c552780da472	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-053i-9600000000-6fa6ff11a1ac49887bb3	2021-09-25	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB34932

CRC / DFC (Dictionary of Food Compounds) ID

JDX31-I:JDX31-I

EAFUS ID

1365

Dr. Duke ID

FENCHOL|FENCHYL-ALCOHOL

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

1632-73-1

GoodScent ID

rw1011531

SuperScent ID

Not Available

Wikipedia ID

Fenchol

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

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Showing 1 to 1 of 1 entries

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

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Flavor	Citations
bitter	Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
borneol	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
camphor	Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0 The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
dry	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
lemon	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
pine	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
sweet	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
woody	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.