NP-MRD: Showing NP-Card for Isotetrahydroauroglaucin (NP0071374)

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Record Information

Version

2.0

Created at

2022-04-28 16:45:28 UTC

Updated at

2022-04-28 16:45:28 UTC

NP-MRD ID

NP0071374

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isotetrahydroauroglaucin

Description

Isotetrahydroauroglaucin belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain. Isotetrahydroauroglaucin is found in Aspergillus chevalieri, Chaetomium globasum, Eurotium rubrum, Polysiphonia stricta and Talipariti tiliaceum. Isotetrahydroauroglaucin was first documented in 2006 (PMID: 17125234). Based on a literature review a small amount of articles have been published on isotetrahydroauroglaucin (PMID: 35448800) (PMID: 31739552) (PMID: 19422073).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 48  0  0  0  0  0  0  0  0999 V2000
   -5.5719    2.7059   -1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1518    1.5366   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090    1.1384   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183   -0.0643    0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.0857   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653   -2.3697    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806   -2.4249    1.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -1.9014    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549   -2.6184    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402   -3.7774   -0.5147 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168   -2.1787   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392   -1.0482    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7355   -0.6234   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    0.5240   -0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4112    1.6064   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299    1.7260    0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783    2.7516   -1.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715   -0.3047    1.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    0.8110    1.7733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836   -0.7770    1.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -0.0080    2.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450    1.0185    3.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6965    3.0994   -2.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9787    3.5089   -0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3891    2.3774   -2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9768    1.0024   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1223    1.6878   -0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0008    0.2821    1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235   -0.4108    0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993   -1.3283   -1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0873   -0.6268   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5246   -2.8134    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969   -3.0656   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126   -3.5276    1.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160   -1.9675    2.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6380   -4.2683   -1.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195   -2.7600   -0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587   -0.3977    0.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413   -1.4869   -0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1075    0.4063   -1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8512    2.6700    0.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6247    1.7813    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9568    0.8624    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344    3.6990   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0861    2.5560   -2.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3754    2.9431   -2.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783    1.4855    2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4757   -0.3452    2.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 12 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 20  8  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  0
 16 41  1  0
 16 42  1  0
 16 43  1  0
 17 44  1  0
 17 45  1  0
 17 46  1  0
 19 47  1  0
 21 48  1  0
M  END


  Mrv1652304282218452D          

 22 22  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
  3 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0071374

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\CCCCC1=C(O)C=C(CC=C(C)C)C(O)=C1C=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H26O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-5,10,12-13,21-22H,6-9,11H2,1-3H3/b5-4+

> <INCHI_KEY>
HBLOFOWPCVDNCG-SNAWJCMRSA-N

> <FORMULA>
C19H26O3

> <MOLECULAR_WEIGHT>
302.414

> <EXACT_MASS>
302.188194697

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
35.495115021262

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(5E)-hept-5-en-1-yl]-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde

> <ALOGPS_LOGP>
4.24

> <JCHEM_LOGP>
6.2760962393333335

> <ALOGPS_LOGS>
-4.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.013408681433084

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.73740635567201

> <JCHEM_PKA_STRONGEST_BASIC>
-5.919762351386084

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
94.61039999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.90e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(5E)-hept-5-en-1-yl]-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde

> <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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   18                                                  
CONECT    3    2    4   17                                                  
CONECT    4    3    5   15                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15    4   16                                                       
CONECT   16   15                                                            
CONECT   17    3                                                            
CONECT   18    2   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₆O₃

Average Mass

302.4140 Da

Monoisotopic Mass

302.18819 Da

IUPAC Name

2-[(5E)-hept-5-en-1-yl]-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde

Traditional Name

2-[(5E)-hept-5-en-1-yl]-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde

CAS Registry Number

Not Available

SMILES

C\C=C\CCCCC1=C(O)C=C(CC=C(C)C)C(O)=C1C=O

InChI Identifier

InChI=1S/C19H26O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-5,10,12-13,21-22H,6-9,11H2,1-3H3/b5-4+

InChI Key

HBLOFOWPCVDNCG-SNAWJCMRSA-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	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
Aspergillus chevalieri	LOTUS Database	35616633
Chaetomium globasum	Fungi	KNApSAcK
Eurotium rubrum	Fungi	KNApSAcK
Polysiphonia stricta	LOTUS Database	35616633
Talipariti tiliaceum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prenylated hydroquinones. These are quinones with a structure characterized by the hydroquinone ring substituted by an prenyl side-chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Prenylated hydroquinones

Alternative Parents

Substituents

Prenylbenzoquinol
Hydroxybenzaldehyde
Hydroquinone
Benzoyl
Benzaldehyde
Aryl-aldehyde
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Organic oxide
Hydrocarbon derivative
Aldehyde
Organooxygen compound
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

benzaldehydes (CHEBI:68789 )
hydroquinones (CHEBI:68789 )

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	4.24	ALOGPS
logP	6.28	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	8.74	ChemAxon
pKa (Strongest Basic)	-5.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	94.61 m³·mol⁻¹	ChemAxon
Polarizability	35.5 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

C00030548

Chemspider ID

23326593

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14355116

PDB ID

Not Available

ChEBI ID

68789

Good Scents ID

Not Available

References

General References

Wang S, Li XM, Teuscher F, Li DL, Diesel A, Ebel R, Proksch P, Wang BG: Chaetopyranin, a benzaldehyde derivative, and other related metabolites from Chaetomium globosum, an endophytic fungus derived from the marine red alga Polysiphonia urceolata. J Nat Prod. 2006 Nov;69(11):1622-5. doi: 10.1021/np060248n. [PubMed:17125234 ]
Elkady WM, Raafat MM, Abdel-Aziz MM, Al-Huqail AA, Ashour ML, Fathallah N: Endophytic Fungus from Opuntia ficus-indica: A Source of Potential Bioactive Antimicrobial Compounds against Multidrug-Resistant Bacteria. Plants (Basel). 2022 Apr 14;11(8):1070. doi: 10.3390/plants11081070. [PubMed:35448800 ]
Fathallah N, Raafat MM, Issa MY, Abdel-Aziz MM, Bishr M, Abdelkawy MA, Salama O: Bio-Guided Fractionation of Prenylated Benzaldehyde Derivatives as Potent Antimicrobial and Antibiofilm from Ammi majus L. Fruits-Associated Aspergillus amstelodami. Molecules. 2019 Nov 14;24(22):4118. doi: 10.3390/molecules24224118. [PubMed:31739552 ]
Slack GJ, Puniani E, Frisvad JC, Samson RA, Miller JD: Secondary metabolites from Eurotium species, Aspergillus calidoustus and A. insuetus common in Canadian homes with a review of their chemistry and biological activities. Mycol Res. 2009 Apr;113(Pt 4):480-90. doi: 10.1016/j.mycres.2008.12.002. [PubMed:19422073 ]

Showing NP-Card for Isotetrahydroauroglaucin (NP0071374)

MOL for NP0071374 (Isotetrahydroauroglaucin)

3D MOL for NP0071374 (Isotetrahydroauroglaucin)

3D SDF for NP0071374 (Isotetrahydroauroglaucin)

3D-SDF for NP0071374 (Isotetrahydroauroglaucin)

PDB for NP0071374 (Isotetrahydroauroglaucin)

3D PDB for NP0071374 (Isotetrahydroauroglaucin)

SMILES for NP0071374 (Isotetrahydroauroglaucin)

INCHI for NP0071374 (Isotetrahydroauroglaucin)

Structure for NP0071374 (Isotetrahydroauroglaucin)

3D Structure for NP0071374 (Isotetrahydroauroglaucin)