NP-MRD: Showing NP-Card for Carabrone (NP0063505)

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Record Information

Version

2.0

Created at

2022-04-28 07:54:17 UTC

Updated at

2024-09-03 04:20:09 UTC

NP-MRD ID

NP0063505

Natural Product DOI

https://doi.org/10.57994/2002

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Carabrone

Description

Carabrone belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11. Carabrone is found in Arnica foliosa, Arnica longifolia, Carpesium abrotanoides, Carpesium eximum, Carpesium faberi, Carpesium macrocephalum, Dittrichia graveolens, Dittrichia viscosa, Flourensia riparia, Flourensia riparia Grisebach, Inula helenium, Ophryosporus floribundus, Pentanema divaricatum, Psilostrophe cooperi, Syncretocarpus sericeus and Vicoa pentanema. Carabrone was first documented in 2016 (PMID: 28901108). Based on a literature review a small amount of articles have been published on Carabrone (PMID: 32997435) (PMID: 31453693) (PMID: 29232953) (PMID: 28783246).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.0335    2.6059    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902    1.3448    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055    0.4859   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3678    0.8164   -0.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350   -0.8124    0.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -0.9121    0.7040 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8669   -1.1972   -0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4163   -1.4069   -0.1679 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1058   -2.8284    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628   -0.5122   -0.7435 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0364   -0.7722   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7122    0.4365   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1679    0.3497   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9524    1.4686    0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7588   -0.6106   -0.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531   -0.3173    0.6835 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8668    0.8375    0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    0.4701    1.1664 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7853    3.0952   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1896    3.2093    0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414   -1.6660    1.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779   -0.2967   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -2.0755   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7666   -3.1112    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341   -3.0005    0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4057   -3.5418   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    0.2174   -1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3186   -1.7020   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3776   -0.9590   -1.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    1.3058   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    0.6194    0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0225    1.2583    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7915    2.3689   -0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4914    1.7699    1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7191   -0.5906    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890    1.5436   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829    1.4424    1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440    0.6669    2.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 15  2  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10 16  1  0
 16 17  1  0
 17 18  1  0
 18  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  2  3
  8 10  1  0
  8 16  1  0
  2 18  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
 12 30  1  0
 12 31  1  0
 11 28  1  0
 11 29  1  0
 10 27  1  6
 16 35  1  1
 17 36  1  0
 17 37  1  0
 18 38  1  1
  6 21  1  1
  7 22  1  0
  7 23  1  0
  9 24  1  0
  9 25  1  0
  9 26  1  0
  1 19  1  0
  1 20  1  0
M  END


  Mrv1652304282209542D          

 18 20  0  0  1  0            999 V2000
    2.8579    1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1105    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9524    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    1.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  6  0  0  0
  2 14  1  1  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 18  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0063505

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1

> <INCHI_KEY>
AGIQIKMGJVLKMA-NLRWUALESA-N

> <FORMULA>
C15H20O3

> <MOLECULAR_WEIGHT>
248.322

> <EXACT_MASS>
248.141244504

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
27.515412309671962

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0^{3,5}]decan-9-one

> <ALOGPS_LOGP>
1.85

> <JCHEM_LOGP>
2.2704362256666664

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.63978973692922

> <JCHEM_PKA_STRONGEST_BASIC>
-6.720962928810844

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
67.0354

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.96e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0^{3,5}]decan-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.206   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.976   3.644   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.516   3.644   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -3.286   4.977   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.286   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.897   4.414   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.799   1.064   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.275  -0.401   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.705   2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       9.245   2.310   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       6.799   3.556   0.000  0.00  0.00           O+0
CONECT    1    2    6   18                                                  
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6    7   13                                             
CONECT    6    5    1                                                       
CONECT    7    5    4    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    5                                                            
CONECT   14    2   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    1                                                       
MASTER        0    0    0    0    0    0    0    0   18    0   40    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀O₃

Average Mass

248.3220 Da

Monoisotopic Mass

248.14124 Da

IUPAC Name

(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0^{3,5}]decan-9-one

Traditional Name

(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0^{3,5}]decan-9-one

CAS Registry Number

Not Available

SMILES

CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C

InChI Identifier

InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1

InChI Key

AGIQIKMGJVLKMA-NLRWUALESA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	kibrom.gebrehiwot@aau.edu.et	Addis Ababa University	Kibrom Bedane	2024-03-29	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Arnica foliosa	Plant	KNApSAcK
Arnica longifolia	Plant	KNApSAcK
Carpesium abrotanoides	Plant	KNApSAcK
Carpesium eximum	Plant	KNApSAcK
Carpesium faberi	LOTUS Database	35616633
Carpesium macrocephalum	LOTUS Database	35616633
Dittrichia graveolens	LOTUS Database	35616633
Dittrichia viscosa	LOTUS Database	35616633
Flourensia riparia	LOTUS Database	35616633
Flourensia riparia Grisebach	Plant	KNApSAcK
Inula confertiflora		Not Available
Inula helenium	LOTUS Database	35616633
Ophryosporus floribundus	Plant	KNApSAcK
Pentanema divaricatum	LOTUS Database	35616633
Psilostrophe cooperi	LOTUS Database	35616633
Syncretocarpus sericeus	LOTUS Database	35616633
Vicoa pentanema	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Xanthanolides

Alternative Parents

Substituents

Xanthanolide-skeleton
Sesquiterpenoid
Carabrane sesquiterpenoid
Gamma butyrolactone
Tetrahydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Ketone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	1.85	ALOGPS
logP	2.27	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	19.64	ChemAxon
pKa (Strongest Basic)	-6.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	43.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	67.04 m³·mol⁻¹	ChemAxon
Polarizability	27.52 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00020346

Chemspider ID

144547

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

164879

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yang YX: [Studies on sesquiterpene lactones from Carpesium faberi]. Zhongguo Zhong Yao Za Zhi. 2016 Jun;41(11):2105-2111. doi: 10.4268/cjcmm20161121. [PubMed:28901108 ]
Wang M, Ren X, Wang L, Lu X, Han L, Zhang X, Feng J: A functional analysis of mitochondrial respiratory chain cytochrome bc1 complex in Gaeumannomyces tritici by RNA silencing as a possible target of carabrone. Mol Plant Pathol. 2020 Dec;21(12):1529-1544. doi: 10.1111/mpp.12993. Epub 2020 Sep 30. [PubMed:32997435 ]
Wang L, Ren X, Guo W, Wang D, Han L, Feng J: Oxidative Stress and Apoptosis of Gaeumannomyces graminis (Get) Induced by Carabrone. J Agric Food Chem. 2019 Sep 18;67(37):10448-10457. doi: 10.1021/acs.jafc.9b02951. Epub 2019 Sep 9. [PubMed:31453693 ]
Wang L, Zhang Y, Wang D, Wang M, Wang Y, Feng J: Mitochondrial Signs and Subcellular Imaging Provide Insight into the Antifungal Mechanism of Carabrone against Gaeumannomyces graminis var. tritici. J Agric Food Chem. 2018 Jan 10;66(1):81-90. doi: 10.1021/acs.jafc.7b03913. Epub 2017 Dec 20. [PubMed:29232953 ]
Wang M, Wang L, Han L, Zhang X, Feng J: The effect of carabrone on mitochondrial respiratory chain complexes in Gaeumannomyces graminis. J Appl Microbiol. 2017 Nov;123(5):1100-1110. doi: 10.1111/jam.13554. Epub 2017 Oct 10. [PubMed:28783246 ]
DOI: 10.1002/cbdv.202400265
PMID: 38470349

Showing NP-Card for Carabrone (NP0063505)

MOL for NP0063505 (Carabrone)

3D MOL for NP0063505 (Carabrone)

3D SDF for NP0063505 (Carabrone)

3D-SDF for NP0063505 (Carabrone)

PDB for NP0063505 (Carabrone)

3D PDB for NP0063505 (Carabrone)

SMILES for NP0063505 (Carabrone)

INCHI for NP0063505 (Carabrone)

Structure for NP0063505 (Carabrone)

3D Structure for NP0063505 (Carabrone)