NP-MRD: Showing NP-Card for (-)-α-curcumene (NP0290151)

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Record Information

Version

2.0

Created at

2022-09-09 20:42:21 UTC

Updated at

2022-09-09 20:42:22 UTC

NP-MRD ID

NP0290151

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-α-curcumene

Description

(-)-Alpha-Curcumene, also known as (R)-curcumene or L-α-curcumene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units (-)-alpha-Curcumene is possibly neutral. Outside of the human body, (-)-alpha-Curcumene is found, on average, in the highest concentration within turmerics (-)-alpha-Curcumene has also been detected, but not quantified in, rosemaries. This could make (-)-alpha-curcumene a potential biomarker for the consumption of these foods. (-)-α-curcumene is found in Abies sachalinensis, Acorus calamus, Aloysia citrodora, Aloysia gratissima, Alpinia chinensis, Anaphalis longifolia, Anthemis aciphylla, Antillogorgia rigida, Artemisia frigida, Artemisia gmelinii, Asarum asperum, Aster scaber, Bahia ambrosioides, Bidens andicola, Calea jamaicensis, Callitropsis nootkatensis, Cannabis sativa, Chamaemelum fuscatum, Chrysanthemum indicum, Cinnamomum sieboldii, Cistus albidus, Conyza sumatrensis, Coreopsis fasciculata, Cotula cinerea, Curcuma longa, Curcuma xanthorrhiza, Cymbopogon martinii, Dumortiera hirsuta, Erigeron canadensis, Eucalyptus dealbata, Gossypium hirsutum, Gundelia tournefortii, Helichrysum odoratissimum, Helichrysum stenopterum, Hypericum coris, Isocoma tenuisecta, Jessea multivenia, Larix gmelinii, Lepechinia chamaedryoides, Lychnophora ericoides, Marsupella emarginata, Olearia paniculata, Olearia teretifolia, Onoseris onoseroides, Osyris quadripartita, Pelargonium citronellum, Perilla frutescens, Pimpinella anisum, Piper gibbilimbum, Plazia daphnoides, Rhododendron mucronulatum, Roldana aschenborniana, Salvia aurea, Santolina canescens, Senecio inaequidens, Senecio squalidus, Sideritis perfoliata, Sideritis tragoriganum, Swertia japonica, Tambourissa leptophylla, Teucrium polium, Ursinia speciosa, Vitex agnus-castus, Widdringtonia whytei and Zingiber officinale. (-)-α-curcumene was first documented in 1986 (PMID: 3725873). An alpha-curcumene that has R configuration at the chiral centre (PMID: 15330612) (PMID: 17827762) (PMID: 11087620).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
   -4.3748   -1.2754   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9922    0.0210    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8822    0.5586    1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9229    0.7072    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9418    0.3025   -0.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6004    0.1677   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969   -0.2406   -1.2532 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6913    0.7555   -2.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601   -0.2796   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -1.4157   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6788   -1.3626    0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1087   -0.1805    1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626   -0.1316    1.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3507    0.9604    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778    0.9036    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9277   -1.8630    0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5035   -1.8840   -0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0460   -1.0719   -1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7196    1.6293    1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480   -0.0271    2.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9335    0.3728    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7202    1.6421    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.5923   -1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589    1.1912   -1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6241   -0.5500    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308    1.1629    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589   -1.2384   -1.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    0.7832   -2.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072    1.7850   -2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656    0.4180   -3.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681   -2.3351   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614   -2.2575    0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6149    0.9154    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583   -0.6395    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1734   -0.6573    2.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6573    1.8971    1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.8286    0.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  2  3
  2  1  1  0
  2  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  8 28  1  0
  8 29  1  0
  8 30  1  0
  7 27  1  6
  6 25  1  0
  6 26  1  0
  5 23  1  0
  5 24  1  0
  4 22  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  3 21  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 15 37  1  0
M  END


  Mrv1652301212022263D          

 15 15  0  0  0  0            999 V2000
   -3.9416   -0.5029   -1.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3914    1.3259    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    1.9657   -0.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -2.0688    2.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335   -0.6391   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655    0.2983   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -1.6225    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    1.8076    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3464   -0.1251   -0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5477    1.1234    1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2640   -0.8107   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4419    0.3889   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    1.2067   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1787   -0.9576    1.3502 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3430   -0.2104    0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  3  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0290151

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CCC=C(C)C)C1=CC=C(C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1

> <INCHI_KEY>
VMYXUZSZMNBRCN-CQSZACIVSA-N

> <FORMULA>
C15H22

> <MOLECULAR_WEIGHT>
202.3352

> <EXACT_MASS>
202.172150704

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
25.81751184034264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene

> <ALOGPS_LOGP>
6.15

> <JCHEM_LOGP>
5.391390631

> <ALOGPS_LOGS>
-5.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
69.0926

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.91e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-α-curcumene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 21-JAN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JAN-20         0                                  
HETATM    1  C   UNK     0      -3.942  -0.503  -1.460  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.391   1.326   0.269  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.712   1.966  -0.822  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.743  -2.069   2.228  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.234  -0.639  -0.693  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.166   0.298  -0.042  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.618  -1.623   0.250  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.625   1.808   0.566  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.346  -0.125  -0.562  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.548   1.123   1.085  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.264  -0.811  -0.040  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.442   0.389  -0.376  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.546   1.207  -0.265  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.179  -0.958   1.350  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.343  -0.210   0.791  0.00  0.00           C+0
CONECT    1   12                                                            
CONECT    2   12                                                            
CONECT    3   13                                                            
CONECT    4   14                                                            
CONECT    5    6    7                                                       
CONECT    6    5   12                                                       
CONECT    7    5   14                                                       
CONECT    8   10   13                                                       
CONECT    9   11   13                                                       
CONECT   10    8   15                                                       
CONECT   11    9   15                                                       
CONECT   12    1    2    6                                                  
CONECT   13    3    8    9                                                  
CONECT   14    4    7   15                                                  
CONECT   15   10   11   14                                                  
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END

View in JSmol

Synonyms

Value	Source
(R)-(-)-alpha-Curcumene	ChEBI
(R)-(-)-Curcumene	ChEBI
(R)-Curcumene	ChEBI
4-[(1R)-1,5-Dimethylhex-4-enyl]-1-methylbenzene	ChEBI
L-alpha-Curcumene	ChEBI
(R)-1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene	Kegg
(R)-(-)-a-Curcumene	Generator
(R)-(-)-Α-curcumene	Generator
L-a-Curcumene	Generator
L-Α-curcumene	Generator
(-)-a-Curcumene	Generator
(-)-Α-curcumene	Generator
(R)-Isomer OF alpha-curcumene	HMDB
1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene	HMDB
2-Methyl-6-p-tolyl-2-heptene	HMDB
alpha-Curcumene	HMDB
(S)-Isomer OF alpha-curcumene	HMDB
Ar-curcumene	HMDB

Chemical Formula

C₁₅H₂₂

Average Mass

202.3352 Da

Monoisotopic Mass

202.17215 Da

IUPAC Name

1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene

Traditional Name

(-)-α-curcumene

CAS Registry Number

Not Available

SMILES

C[C@H](CCC=C(C)C)C1=CC=C(C)C=C1

InChI Identifier

InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1

InChI Key

VMYXUZSZMNBRCN-CQSZACIVSA-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 sachalinensis	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Aloysia citrodora	LOTUS Database	35616633
Aloysia gratissima	LOTUS Database	35616633
Alpinia chinensis	LOTUS Database	35616633
Anaphalis longifolia	LOTUS Database	35616633
Anthemis aciphylla	LOTUS Database	35616633
Antillogorgia rigida	LOTUS Database	35616633
Artemisia frigida	LOTUS Database	35616633
Artemisia gmelinii	LOTUS Database	35616633
Asarum asperum	LOTUS Database	35616633
Aster scaber	LOTUS Database	35616633
Bahia ambrosioides	LOTUS Database	35616633
Bidens andicola	LOTUS Database	35616633
Calea jamaicensis	LOTUS Database	35616633
Callitropsis nootkatensis	LOTUS Database	35616633
Cannabis sativa	LOTUS Database	35616633
Chamaemelum fuscatum	LOTUS Database	35616633
Chrysanthemum indicum	LOTUS Database	35616633
Cinnamomum sieboldii	LOTUS Database	35616633
Cistus albidus	LOTUS Database	35616633
Conyza sumatrensis	LOTUS Database	35616633
Coreopsis fasciculata	LOTUS Database	35616633
Cotula cinerea	LOTUS Database	35616633
Curcuma longa	LOTUS Database	35616633
Curcuma xanthorrhiza	LOTUS Database	35616633
Cymbopogon martinii	LOTUS Database	35616633
Dumortiera hirsuta	LOTUS Database	35616633
Erigeron canadensis	LOTUS Database	35616633
Eucalyptus dealbata	LOTUS Database	35616633
Gossypium hirsutum	LOTUS Database	35616633
Gundelia tournefortii	LOTUS Database	35616633
Helichrysum odoratissimum	LOTUS Database	35616633
Helichrysum stenopterum	LOTUS Database	35616633
Hypericum coris	LOTUS Database	35616633
Isocoma tenuisecta	LOTUS Database	35616633
Jessea multivenia	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Lepechinia chamaedryoides	LOTUS Database	35616633
Lychnophora ericoides	LOTUS Database	35616633
Marsupella emarginata	LOTUS Database	35616633
Olearia paniculata	LOTUS Database	35616633
Olearia teretifolia	LOTUS Database	35616633
Onoseris onoseroides	LOTUS Database	35616633
Osyris quadripartita	LOTUS Database	35616633
Pelargonium citronellum	LOTUS Database	35616633
Perilla frutescens	LOTUS Database	35616633
Pimpinella anisum	LOTUS Database	35616633
Piper gibbilimbum	LOTUS Database	35616633
Plazia daphnoides	LOTUS Database	35616633
Rhododendron mucronulatum	LOTUS Database	35616633
Roldana aschenborniana	LOTUS Database	35616633
Salvia africana-lutea	LOTUS Database	35616633
Santolina canescens	LOTUS Database	35616633
Senecio inaequidens	LOTUS Database	35616633
Senecio squalidus	LOTUS Database	35616633
Sideritis perfoliata	LOTUS Database	35616633
Sideritis tragoriganum	LOTUS Database	35616633
Swertia japonica	LOTUS Database	35616633
Tambourissa leptophylla	LOTUS Database	35616633
Teucrium polium	LOTUS Database	35616633
Ursinia speciosa	LOTUS Database	35616633
Vitex agnus-castus	LOTUS Database	35616633
Widdringtonia whytei	LOTUS Database	35616633
Zingiber officinale	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Bisabolane sesquiterpenoid
Sesquiterpenoid
P-cymene
Toluene
Benzenoid
Monocyclic benzene moiety
Aromatic hydrocarbon
Branched unsaturated hydrocarbon
Cyclic olefin
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

alpha-curcumene (CHEBI:10225 )
Bisabolane sesquiterpenoids (C09649 )
Sesquiterpenoids (C15) (C09649 )

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	6.15	ALOGPS
logP	5.39	ChemAxon
logS	-5.3	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	69.09 m³·mol⁻¹	ChemAxon
Polarizability	25.82 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0061838

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001674

KNApSAcK ID

C00011617

Chemspider ID

Not Available

KEGG Compound ID

C09649

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

442360

PDB ID

Not Available

ChEBI ID

10225

Good Scents ID

Not Available

References

General References

Zhang A, RajanBabu TV: Chiral benzyl centers through asymmetric catalysis. a three-step synthesis of (R)-(-)-alpha-curcumene via asymmetric hydrovinylation. Org Lett. 2004 Sep 2;6(18):3159-61. doi: 10.1021/ol048790v. [PubMed:15330612 ]
Ehara T, Tanikawa S, Ono M, Akita H: Synthesis of (R)-curcumene and (R)-xanthorrizol based on 1,2-Aryl migration via phenonium ion. Chem Pharm Bull (Tokyo). 2007 Sep;55(9):1361-4. doi: 10.1248/cpb.55.1361. [PubMed:17827762 ]
Lenfeld J, Motl O, Trka A: Anti-inflammatory activity of extracts from Conyza canadensis. Pharmazie. 1986 Apr;41(4):268-9. [PubMed:3725873 ]
D'Armas HT, Mootoo BS, Reynolds WF: An unusual sesquiterpene derivative from the Caribbean gorgonian Pseudopterogorgia rigida. J Nat Prod. 2000 Nov;63(11):1593-5. doi: 10.1021/np000229s. [PubMed:11087620 ]
LOTUS database [Link]

Showing NP-Card for (-)-α-curcumene (NP0290151)

MOL for NP0290151 ((-)-α-curcumene)

3D MOL for NP0290151 ((-)-α-curcumene)

3D SDF for NP0290151 ((-)-α-curcumene)

3D-SDF for NP0290151 ((-)-α-curcumene)

PDB for NP0290151 ((-)-α-curcumene)

3D PDB for NP0290151 ((-)-α-curcumene)

SMILES for NP0290151 ((-)-α-curcumene)

INCHI for NP0290151 ((-)-α-curcumene)

Structure for NP0290151 ((-)-α-curcumene)

3D Structure for NP0290151 ((-)-α-curcumene)