NP-MRD: Showing NP-Card for (+)-Arbusculin A (NP0051840)

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Record Information

Version

2.0

Created at

2022-04-27 23:03:16 UTC

Updated at

2022-04-27 23:03:16 UTC

NP-MRD ID

NP0051840

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Arbusculin A

Description

Arbusculin A belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. (+)-Arbusculin A is found in Artemisia arbuscula, Artemisia tridentata, Conocephalum japonicum, Eremanthus erythropappus, Frullania tamarisci, Tanacetum ferulaceum, Mochia velutina and Saussurea costus. (+)-Arbusculin A was first documented in 2012 (PMID: 22803366). Based on a literature review a small amount of articles have been published on arbusculin A (PMID: 33556696) (PMID: 30772798) (PMID: 29864627) (PMID: 26593213).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.3821   -0.5869   -0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641    0.0964   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200    1.3137   -1.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.9231   -2.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172    1.6779   -0.9076 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9974    0.4786   -0.5724 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1074   -0.1892    0.2610 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7234   -1.6131    0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -1.6762    1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796   -0.8630    0.5496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1883   -1.5699   -0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8015   -0.7926    1.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9177    0.0953    1.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    1.4614    0.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596    1.4846   -0.1429 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7168    1.3028   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079    2.7875   -0.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949    0.5435    0.2905 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1903   -0.2826   -1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5879   -1.4862   -0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058   -0.1350   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791    0.3023    1.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799   -2.1448    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6560   -2.0988   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933   -2.7421    1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   -1.4407    2.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203   -2.6662   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114   -1.5836   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8045   -1.2377   -1.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944   -1.8311    1.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.4134    2.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5313   -0.3116    0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162    0.1951    2.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    1.9176    1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440    2.1244    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087    1.0722   -2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5862    0.6059   -1.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    2.3011   -1.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608    3.0661   -0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1537    0.9151    1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  1  0
 15 17  1  6
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 10  1  0
 10 11  1  6
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  2  3
  6 18  1  0
 18 15  1  0
 18 10  1  0
  2  7  1  0
 16 36  1  0
 16 37  1  0
 16 38  1  0
 17 39  1  0
 14 34  1  0
 14 35  1  0
 13 32  1  0
 13 33  1  0
 12 30  1  0
 12 31  1  0
 11 27  1  0
 11 28  1  0
 11 29  1  0
  9 25  1  0
  9 26  1  0
  8 23  1  0
  8 24  1  0
  7 22  1  1
  6 21  1  6
  1 19  1  0
  1 20  1  0
 18 40  1  1
M  END


  Mrv1652304282201032D          

 18 20  0  0  1  0            999 V2000
    5.1704    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7804    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558    1.1395    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5212    0.4383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9112   -0.2887    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7358   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6966    0.4640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1640    1.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6989    1.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012   -1.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528    1.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702    1.5983    0.0000 C   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
  3  4  1  0  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  1  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 14  1  1  0  0  0
 14 15  2  0  0  0  0
  5 16  1  1  0  0  0
  3 17  1  6  0  0  0
  3 18  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0051840

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1

> <INCHI_KEY>
BVRDNJZFYKHRJQ-CWFCOSEVSA-N

> <FORMULA>
C15H22O3

> <MOLECULAR_WEIGHT>
250.338

> <EXACT_MASS>
250.156894568

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.841768990808095

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aS,5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one

> <ALOGPS_LOGP>
2.26

> <JCHEM_LOGP>
2.431970635

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.68976428795995

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9344971004463183

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
68.00319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.94e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
arbusculin A

> <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       9.651   0.722   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.923   2.079   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.384   2.127   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.573   0.818   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.301  -0.539   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.840  -0.587   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.490  -1.848   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.950  -1.800   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.222  -0.443   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.034   0.866   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.039   2.042   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.614   1.460   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.305   2.271   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.727  -0.076   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.551  -1.070   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.029  -1.896   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.379   3.667   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.104   2.984   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   17   18                                             
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7   16                                             
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9    4   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    9   15                                                  
CONECT   15   14                                                            
CONECT   16    5                                                            
CONECT   17    3                                                            
CONECT   18    3                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   40    0
END

View in JSmol

Synonyms

Value	Source
4-Epiarbusculin a	ChEBI

Chemical Formula

C₁₅H₂₂O₃

Average Mass

250.3380 Da

Monoisotopic Mass

250.15689 Da

IUPAC Name

(3aS,5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one

Traditional Name

arbusculin A

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1

InChI Key

BVRDNJZFYKHRJQ-CWFCOSEVSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
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	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	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	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	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	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	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	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	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	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
Artemisia arbuscula	Plant	KNApSAcK
Artemisia tridentata	Plant	KNApSAcK
Conocephalum supradecompositum	LOTUS Database	35616633
Eremanthus erythropappus	LOTUS Database	35616633
Frullania tamarisci	LOTUS Database	35616633
Gonospermum ferulaceum	LOTUS Database	35616633
Mochia velutina	-	KNApSAcK
Saussurea costus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Substituents

Eudesmanolide
Sesquiterpenoid
Naphthofuran
Gamma butyrolactone
Cyclic alcohol
Tertiary alcohol
Tetrahydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

tertiary alcohol (CHEBI:2805 )
organic heterotricyclic compound (CHEBI:2805 )
sesquiterpene lactone (CHEBI:2805 )
Sesquiterpenoids (C15) (C09295 )

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	2.26	ALOGPS
logP	2.43	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	14.69	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	68 m³·mol⁻¹	ChemAxon
Polarizability	27.84 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

C00003213

Chemspider ID

140772

KEGG Compound ID

C09295

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

160153

PDB ID

Not Available

ChEBI ID

2805

Good Scents ID

Not Available

References

General References

Rodriguez-Exposito RL, Nocchi N, Reyes-Batlle M, Sifaoui I, Suarez-Gomez B, Diaz-Marrero AR, Souto ML, Pinero JE, Fernandez JJ, Lorenzo-Morales J: Antiamoebic effects of sesquiterpene lactones isolated from the zoanthid Palythoa aff. clavata. Bioorg Chem. 2021 Mar;108:104682. doi: 10.1016/j.bioorg.2021.104682. Epub 2021 Jan 27. [PubMed:33556696 ]
Ibrahim SRM, Ahmed El-Shaer NSA, Asfour HZ, Elshali KZ, Awad Shaaban MI, Al-Attas AAM, Allah Mohamed GA: Antimicrobial, antiquorum sensing, and antiproliferative activities of sesquiterpenes from Costus speciosus rhizomes. Pak J Pharm Sci. 2019 Jan;32(1):109-115. [PubMed:30772798 ]
Fraga BM, Terrero D, Cabrera I, Reina M: Studies on the sesquiterpene lactones from Laurus novocanariensis lead to the clarification of the structures of 1-epi-tatridin B and its epimer tatridin B. Phytochemistry. 2018 Sep;153:48-52. doi: 10.1016/j.phytochem.2018.05.014. Epub 2018 Jun 1. [PubMed:29864627 ]
Al-Attas AA, El-Shaer NS, Mohamed GA, Ibrahim SR, Esmat A: Anti-inflammatory sesquiterpenes from Costus speciosus rhizomes. J Ethnopharmacol. 2015 Dec 24;176:365-74. doi: 10.1016/j.jep.2015.11.026. Epub 2015 Nov 28. [PubMed:26593213 ]
Zhang T, Ma L, Wu F, Chen R: [Chemical constituents from a portion of ethanolicextract of Saussurea lappa roots]. Zhongguo Zhong Yao Za Zhi. 2012 May;37(9):1232-6. [PubMed:22803366 ]

Showing NP-Card for (+)-Arbusculin A (NP0051840)

MOL for NP0051840 ((+)-Arbusculin A)

3D MOL for NP0051840 ((+)-Arbusculin A)

3D SDF for NP0051840 ((+)-Arbusculin A)

3D-SDF for NP0051840 ((+)-Arbusculin A)

PDB for NP0051840 ((+)-Arbusculin A)

3D PDB for NP0051840 ((+)-Arbusculin A)

SMILES for NP0051840 ((+)-Arbusculin A)

INCHI for NP0051840 ((+)-Arbusculin A)

Structure for NP0051840 ((+)-Arbusculin A)

3D Structure for NP0051840 ((+)-Arbusculin A)