NP-MRD: Showing NP-Card for (+)-camphene (NP0216940)

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Record Information

Version

2.0

Created at

2022-09-05 17:06:24 UTC

Updated at

2022-09-05 17:06:24 UTC

NP-MRD ID

NP0216940

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-camphene

Description

(+)-Camphene, also known as (1R,4S)-camphene or D-camphene, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. (+)-camphene is found in Abies alba, Abies balsamea, Abies grandis, Acorus calamus, Artemisia vulgaris, Azadirachta indica, Cedrus libani, Cinnamomum camphora, Cistus clusii, Cistus incanus, Clinopodium douglasii, Cyperus rotundus, Houttuynia cordata, Marsupella emarginata, Mentha piperita, Ocimum campechianum, Picea abies, Pinus cembra, Pinus sibirica, Piper fimbriulatum, Rhodiola rosea, Salvia officinalis and Solidago canadensis. Thus, (+)-camphene is considered to be an isoprenoid lipid molecule (+)-Camphene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Value	Source
(+)-Comphene	ChEBI
(1R)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane	ChEBI
(1R,4S)-(+)-Camphene	ChEBI
(1R,4S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane	ChEBI
(1R,4S)-Camphene	ChEBI
D-Camphene	ChEBI
(+)-Camphene	PhytoBank
(1R)-Camphene	PhytoBank
(±)-Camphene	PhytoBank
2,2-Dimethyl-3-methylenenorbornane	PhytoBank
2-Methylene-3,3-dimethylbicyclo[2.2.1]heptane	PhytoBank
3,3-Dimethyl-2-methylenenorbornane	PhytoBank
3,3-Dimethyl-2-methylenenorcamphane	PhytoBank
dl-Camphene	PhytoBank

Chemical Formula

C₁₀H₁₆

Average Mass

136.2340 Da

Monoisotopic Mass

136.12520 Da

IUPAC Name

(1R,4S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

Traditional Name

(+)-camphene

CAS Registry Number

Not Available

SMILES

CC1(C)[C@@H]2CC[C@@H](C2)C1=C

InChI Identifier

InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1

InChI Key

CRPUJAZIXJMDBK-DTWKUNHWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies alba	LOTUS Database	35616633
Abies balsamea	LOTUS Database	35616633
Abies grandis	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Artemisia vulgaris	LOTUS Database	35616633
Azadirachta indica	LOTUS Database	35616633
Cedrus libani	LOTUS Database	35616633
Cinnamomum camphora	LOTUS Database	35616633
Cistus clusii	LOTUS Database	35616633
Cistus incanus	LOTUS Database	35616633
Clinopodium douglasii	LOTUS Database	35616633
Cyperus rotundus	LOTUS Database	35616633
Houttuynia cordata	LOTUS Database	35616633
Marsupella emarginata	LOTUS Database	35616633
Mentha piperita	LOTUS Database	35616633
Ocimum campechianum	LOTUS Database	35616633
Picea abies	LOTUS Database	35616633
Pinus cembra	LOTUS Database	35616633
Pinus sibirica	LOTUS Database	35616633
Piper fimbriulatum	LOTUS Database	35616633
Rhodiola rosea	LOTUS Database	35616633
Salvia officinalis	LOTUS Database	35616633
Solidago canadensis	LOTUS Database	35616633

Chemical Taxonomy

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

Bicyclic monoterpenoid
Branched unsaturated hydrocarbon
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

camphene (CHEBI:20 )
Bicyclic monoterpenoids (C06304 )
Cyclic monoterpenes (C06304 )
Bicyclic monoterpenoids (LMPR0102120011 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.56	ALOGPS
logP	2.86	ChemAxon
logS	-3.3	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	43.65 m³·mol⁻¹	ChemAxon
Polarizability	16.95 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001453

KNApSAcK ID

C00000818

Chemspider ID

Not Available

KEGG Compound ID

C06304

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92221

PDB ID

Not Available

ChEBI ID

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (+)-camphene (NP0216940)

MOL for NP0216940 ((+)-camphene)

3D MOL for NP0216940 ((+)-camphene)

3D SDF for NP0216940 ((+)-camphene)

3D-SDF for NP0216940 ((+)-camphene)

PDB for NP0216940 ((+)-camphene)

3D PDB for NP0216940 ((+)-camphene)

SMILES for NP0216940 ((+)-camphene)

INCHI for NP0216940 ((+)-camphene)

Structure for NP0216940 ((+)-camphene)

3D Structure for NP0216940 ((+)-camphene)