NP-MRD: Showing NP-Card for Cepharadione A (NP0067944)

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Record Information

Version

2.0

Created at

2022-04-28 12:47:04 UTC

Updated at

2022-04-28 12:47:04 UTC

NP-MRD ID

NP0067944

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cepharadione A

Description

Cepharadione A belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Cepharadione A is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cepharadione a has been detected, but not quantified in, herbs and spices. Cepharadione A is found in Aristolochia chilensis, Aristolochia cucurbitifolia, Aristolochia foveolata, Aristolochia heterophylla Hemsl , Aristolochia indica, Aristolochia kaempferi, Aristolochia kankauensis, Aristolochia mollissima, Aristolochia tagala, Aristolochia triangularis, Aristolochia zollingeriana, Piper acutisleginum, Piper argyrophyllum, Piper augustum, Piper auritum , Piper betle , Piper caninum, Piper divaricatum, Piper longum, Piper methysticum , Piper nigrum, Piper pedicellosum, Piper sanctum, Piper sarmentosum, Piper thomsoni , Piper wightii, Stephania cepharantha Hayata and Stephania sasakii Hayata. This could make cepharadione a a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -4.0509    0.0970    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8452   -0.7132    0.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9316   -2.1277   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0569   -2.6734   -0.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041   -2.9164   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7614   -4.1599   -0.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   -2.2069   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7482   -2.9584   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9279   -2.2526    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -0.8703    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145   -0.1373    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800   -0.8369    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628   -0.1084    0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350    1.2644    0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    1.9413    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3102    3.3068    0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8736    4.0008    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545    3.3350    0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.9322    0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746    1.2433    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3518   -0.5754    0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0341   -1.6296   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559   -2.7329    0.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0574    0.8473   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.7136    1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9410   -0.5331    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   -4.0367   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4527    1.8575    0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568    3.8432    0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    5.0772    0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229    3.7962    0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    1.4100    0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202   -1.4891   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0902   -1.7076   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 21  1  0
 21 22  1  0
 22 23  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 13  2  1  0
 20 15  1  0
 12  7  1  0
 23  9  1  0
 20 11  2  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  8 27  1  0
 22 33  1  0
 22 34  1  0
 14 28  1  0
 16 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
M  END


  Mrv0541 05061307452D          

 23 27  0  0  0  0            999 V2000
    0.7145    2.0625    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
    4.2868    0.0000    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
    3.5724   -0.4125    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   -2.5432    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
    2.8579    0.0000    0.0000 C   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
    1.4289    0.8250    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    0.0000    0.0000 C   0  0  0  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
    0.0000    0.0000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    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
    1.6005   -2.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -1.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  1  1  0  0  0  0
 19 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22  8  1  0  0  0  0
 22 13  1  0  0  0  0
 23  8  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0067944

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31

> <INCHI_IDENTIFIER>
InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3

> <INCHI_KEY>
RZIGKFTVXWUUCX-UHFFFAOYSA-N

> <FORMULA>
C18H11NO4

> <MOLECULAR_WEIGHT>
305.2842

> <EXACT_MASS>
305.068807845

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
30.988978809794904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione

> <ALOGPS_LOGP>
2.73

> <JCHEM_LOGP>
2.417796611

> <ALOGPS_LOGS>
-3.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.483000080717728

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
82.25819999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.78e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   2.310   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       4.519  -4.747   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       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.988  -4.586   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.145  -3.340   0.000  0.00  0.00           O+0
CONECT    1   19                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2    9                                                       
CONECT    5    3   10                                                       
CONECT    6    9   12                                                       
CONECT    7   11   13                                                       
CONECT    8   22   23                                                       
CONECT    9    4    6   10                                                  
CONECT   10    5    9   15                                                  
CONECT   11    7   14   16                                                  
CONECT   12    6   14   19                                                  
CONECT   13    7   17   22                                                  
CONECT   14   11   12   15                                                  
CONECT   15   10   14   17                                                  
CONECT   16   11   18   20                                                  
CONECT   17   13   15   23                                                  
CONECT   18   16   19   21                                                  
CONECT   19    1   12   18                                                  
CONECT   20   16                                                            
CONECT   21   18                                                            
CONECT   22    8   13                                                       
CONECT   23    8   17                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Value	Source
7-Methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione, 9ci	HMDB
Cepharadione a	MeSH

Chemical Formula

C₁₈H₁₁NO₄

Average Mass

305.2842 Da

Monoisotopic Mass

305.06881 Da

IUPAC Name

11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione

Traditional Name

11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione

CAS Registry Number

Not Available

SMILES

CN1C(=O)C(=O)C2=CC3=C(OCO3)C3=C2C1=CC1=CC=CC=C31

InChI Identifier

InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3

InChI Key

RZIGKFTVXWUUCX-UHFFFAOYSA-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
Aristolochia chilensis	LOTUS Database	35616633
Aristolochia cucurbitifolia	LOTUS Database	35616633
Aristolochia foveolata	Plant	KNApSAcK
Aristolochia heterophylla Hemsl	Plant	KNApSAcK
Aristolochia indica	LOTUS Database	35616633
Aristolochia kaempferi	LOTUS Database	35616633
Aristolochia kankauensis	LOTUS Database	35616633
Aristolochia mollissima	Plant	KNApSAcK
Aristolochia tagala	LOTUS Database	35616633
Aristolochia triangularis	Plant	KNApSAcK
Aristolochia zollingeriana	LOTUS Database	35616633
Piper acutisleginum	Plant	KNApSAcK
Piper argyrophyllum	LOTUS Database	35616633
Piper augustum	Plant	KNApSAcK
Piper auritum	Plant	KNApSAcK
Piper betle	Plant	KNApSAcK
Piper caninum	Plant	KNApSAcK
Piper divaricatum	LOTUS Database	35616633
Piper longum	LOTUS Database	35616633
Piper methysticum	Plant	KNApSAcK
Piper nigrum	LOTUS Database	35616633
Piper pedicellosum	Plant	KNApSAcK
Piper sanctum	LOTUS Database	35616633
Piper sarmentosum	LOTUS Database	35616633
Piper thomsoni	Plant	KNApSAcK
Piper wightii	LOTUS Database	35616633
Stephania cepharantha Hayata	Plant	KNApSAcK
Stephania sasakii Hayata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Aporphines

Sub Class

Not Available

Direct Parent

Aporphines

Alternative Parents

Substituents

Aporphine
Benzoquinoline
Phenanthrene
Dihydroquinolone
Isoquinolone
Dihydroquinoline
Isoquinoline
Naphthalene
Quinoline
Benzodioxole
Pyridinone
Benzenoid
Pyridine
Heteroaromatic compound
Lactam
Oxacycle
Azacycle
Organoheterocyclic compound
Acetal
Organopnictogen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	2.73	ALOGPS
logP	2.42	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.84 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	82.26 m³·mol⁻¹	ChemAxon
Polarizability	30.99 Å³	ChemAxon
Number of Rings	5	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

HMDB0034364

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB012737

KNApSAcK ID

C00025787

Chemspider ID

85344

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

94577

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Cepharadione A (NP0067944)

MOL for NP0067944 (Cepharadione A)

3D MOL for NP0067944 (Cepharadione A)

3D SDF for NP0067944 (Cepharadione A)

3D-SDF for NP0067944 (Cepharadione A)

PDB for NP0067944 (Cepharadione A)

3D PDB for NP0067944 (Cepharadione A)

SMILES for NP0067944 (Cepharadione A)

INCHI for NP0067944 (Cepharadione A)

Structure for NP0067944 (Cepharadione A)

3D Structure for NP0067944 (Cepharadione A)