NP-MRD: Showing NP-Card for Atherospermidine (NP0050942)

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Record Information

Version

2.0

Created at

2022-04-27 22:24:48 UTC

Updated at

2022-04-27 22:24:48 UTC

NP-MRD ID

NP0050942

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Atherospermidine

Description

Atherospermidine 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. Atherospermidine is found in Annickia polycarpa, Annona cherimola, Annona diversifolia, Annona purpurea, Artabotrys hexapetalus, Artabotrys uncinatus , Artabotrys zeylanicus, Atherosperma moschatum , Dasymaschalon longiflorum, Fissistigma glaucescens, Fissistigma oldhamii, Guatteria australis, Guatteria foliosa, Guatteria psilopus, Pseuduvaria indochinensis and Sciadotenia toxifera. Atherospermidine was first documented in 2015 (PMID: 25738993). Based on a literature review a small amount of articles have been published on atherospermidine (PMID: 35114523) (PMID: 27169188).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 38  0  0  0  0  0  0  0  0999 V2000
   -4.4946    0.5274    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5222    0.1153    1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535    0.1258    0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4014    1.2395    1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395    1.2732    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    0.1286    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2210   -0.9951   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -2.1475   -0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4753   -3.2199   -0.8485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7896   -3.2174   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831   -2.1227   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.0079    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128   -2.1826   -0.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2633   -3.2059   -1.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364   -1.0234   -0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -1.0530   -0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922    0.0352   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1339    1.1638    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568    1.2246    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9912    0.1342    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925    2.5094    1.2503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    3.3531    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8060    2.4589    1.6346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7177    1.6110    0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4068   -0.1064    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1851    0.3891   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -4.0746   -0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4407   -2.0466    0.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3117   -1.9664   -1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7535    0.0115   -0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7244    2.0482    0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    2.1218    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9193    3.8258    0.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    4.0730    2.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 12  2  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  8  2  0
  8 13  1  0
 13 14  2  0
 13 15  1  0
 15 20  2  0
 20 19  1  0
 19 18  2  0
 18 17  1  0
 17 16  2  0
 20  6  1  0
  6  5  1  0
  5  4  2  0
  4 23  1  0
 23 22  1  0
 22 21  1  0
  6  7  2  0
  4  3  1  0
  7 12  1  0
  7  8  1  0
 16 15  1  0
 21  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 11 28  1  0
 10 27  1  0
 19 32  1  0
 18 31  1  0
 17 30  1  0
 16 29  1  0
 22 33  1  0
 22 34  1  0
M  END


  Mrv1652304282200242D          

 23 27  0  0  0  0            999 V2000
    2.1434   -1.2375    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
    1.4289   -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
    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
    1.6005   -2.4570    0.0000 O   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
    2.7565   -1.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    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 N   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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   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
    3.5724   -0.4125    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
    4.2868    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050942

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C=CN=C3C(=O)C4=C(C=CC=C4)C(C4=C1OCO4)=C23

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

> <INCHI_KEY>
MDFFNDBAEOHIDY-UHFFFAOYSA-N

> <FORMULA>
C18H11NO4

> <MOLECULAR_WEIGHT>
305.289

> <EXACT_MASS>
305.068807838

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
30.841970017297335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
2.729795256666667

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.826352824029117

> <JCHEM_POLAR_SURFACE_AREA>
57.65

> <JCHEM_REFRACTIVITY>
81.86310000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.83e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-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       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.988  -4.586   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.519  -4.747   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.145  -3.340   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
CONECT    1    2    6    9                                                  
CONECT    2    1    3   19                                                  
CONECT    3    2    4   15                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    1                                                       
CONECT   10    5   11                                                       
CONECT   11   10                                                            
CONECT   12    4   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    3   16                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18    2   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Value	Source
4,5,6,6a-Tetradehydro-3-methoxy-1,2-(methylenedioxy)-noraporphin-7-one	ChEBI
4-Methoxy-8H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one	ChEBI

Chemical Formula

C₁₈H₁₁NO₄

Average Mass

305.2890 Da

Monoisotopic Mass

305.06881 Da

IUPAC Name

7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one

Traditional Name

7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one

CAS Registry Number

Not Available

SMILES

COC1=C2C=CN=C3C(=O)C4=C(C=CC=C4)C(C4=C1OCO4)=C23

InChI Identifier

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

InChI Key

MDFFNDBAEOHIDY-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
Annickia polycarpa	LOTUS Database	35616633
Annona cherimola	LOTUS Database	35616633
Annona diversifolia	Plant	KNApSAcK
Annona purpurea	LOTUS Database	35616633
Artabotrys hexapetalus	LOTUS Database	35616633
Artabotrys uncinatus	Plant	KNApSAcK
Artabotrys zeylanicus	LOTUS Database	35616633
Atherosperma moschatum	Plant	KNApSAcK
Dasymaschalon longiflorum	LOTUS Database	35616633
Fissistigma glaucescens	LOTUS Database	35616633
Fissistigma oldhamii	LOTUS Database	35616633
Guatteria australis	LOTUS Database	35616633
Guatteria foliosa	LOTUS Database	35616633
Guatteria psilopus	Plant	KNApSAcK
Pseuduvaria indochinensis	LOTUS Database	35616633
Sciadotenia toxifera	LOTUS Database	35616633

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
Isoquinoline
Naphthalene
Quinoline
Benzodioxole
Anisole
Aryl ketone
Alkyl aryl ether
Benzenoid
Pyridine
Heteroaromatic compound
Ketone
Acetal
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Organopnictogen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

isoquinoline alkaloid (CHEBI:28780 )
isoquinolines (CHEBI:28780 )

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	2.53	ALOGPS
logP	2.73	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Basic)	2.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	57.65 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	81.86 m³·mol⁻¹	ChemAxon
Polarizability	30.84 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00001813

Chemspider ID

69921

KEGG Compound ID

C09347

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

77514

PDB ID

Not Available

ChEBI ID

28780

Good Scents ID

Not Available

References

General References

Fontes Barbosa M, Benatti Justino A, Machado Martins M, Roberta Anacleto Belaz K, Barbosa Ferreira F, Junio de Oliveira R, Danuello A, Salmen Espindola F, Pivatto M: Cholinesterase inhibitors assessment of aporphine alkaloids from Annona crassiflora and molecular docking studies. Bioorg Chem. 2022 Mar;120:105593. doi: 10.1016/j.bioorg.2021.105593. Epub 2022 Jan 4. [PubMed:35114523 ]
Kwan TK, Shipton F, Azman NS, Hossan S, Jin KT, Wiart C: Cytotoxic Aporphines from Artabotrys crassifolius. Nat Prod Commun. 2016 Mar;11(3):389-92. [PubMed:27169188 ]
Tan KK, Khoo TJ, Rajagopal M, Wiart C: Antibacterial alkaloids from Artabotrys crassifolius Hook.f. & Thomson. Nat Prod Res. 2015;29(24):2346-9. doi: 10.1080/14786419.2015.1013954. Epub 2015 Mar 4. [PubMed:25738993 ]

Showing NP-Card for Atherospermidine (NP0050942)

MOL for NP0050942 (Atherospermidine)

3D MOL for NP0050942 (Atherospermidine)

3D SDF for NP0050942 (Atherospermidine)

3D-SDF for NP0050942 (Atherospermidine)

PDB for NP0050942 (Atherospermidine)

3D PDB for NP0050942 (Atherospermidine)

SMILES for NP0050942 (Atherospermidine)

INCHI for NP0050942 (Atherospermidine)

Structure for NP0050942 (Atherospermidine)

3D Structure for NP0050942 (Atherospermidine)