NP-MRD: Showing NP-Card for Ergine (NP0050862)

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Record Information

Version

2.0

Created at

2022-04-27 22:16:37 UTC

Updated at

2022-04-27 22:16:37 UTC

NP-MRD ID

NP0050862

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ergine

Description

Lysergamide, also known as ergine, belongs to the class of organic compounds known as lysergamides. These are amides of Lysergic acids. Ergine is found in Apis cerana, Argyreia nervosa , Claviceps purpurea, Epichloe inebrians e818, Ipomoea argyrophylla, Ipomoea asarifolia , Ipomoea corymbosa, Ipomoea tricolor, Ipomoea violacea, Neotyphodium gansuense, Paspalum distichum, Periglandula ipomoeae lasaF13 and Rhodococcus erythropolis MTHt3. Ergine was first documented in 2020 (PMID: 32803833). Based on a literature review a small amount of articles have been published on lysergamide (PMID: 32766204) (PMID: 32180350).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 40  0  0  0  0  0  0  0  0999 V2000
   -1.5280    2.7380   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    1.7842    0.4926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448    0.8941    0.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543   -0.1030   -0.5368 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6146   -1.1021   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7137   -1.9875    0.7115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4870   -1.1918   -1.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476   -0.8455   -0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133   -0.2516   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545   -1.0013   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1334   -2.3790   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791   -2.9625   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367   -2.1694    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679   -0.7847    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279    0.2566    0.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5999    1.4144    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299    1.1035    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2052   -0.2546    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695    1.8799   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550    1.1125    0.5590 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4575    3.3324   -0.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914    3.4542   -0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638    2.2469   -1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4689    1.5024    0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453    0.4230    1.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6785    0.4522   -1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8802   -2.3469    1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6529   -2.3001    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847   -1.8435   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519   -2.9723   -0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424   -4.0230   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5194   -2.6189    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649    0.1563    0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    2.3990    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1857    2.8344    0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    2.1501   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0595    1.0036    1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  8  1  0
  8  9  2  0
  9 20  1  0
 20 19  1  0
 19 17  1  0
 17 16  2  0
 16 15  1  0
 15 14  1  0
 14 13  2  0
 13 12  1  0
 12 11  2  0
 11 10  1  0
 10 18  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
 20  2  1  0
 18 17  1  0
 10  9  1  0
 18 14  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  6
  8 29  1  0
 20 37  1  1
 19 35  1  0
 19 36  1  0
 16 34  1  0
 15 33  1  0
 13 32  1  0
 12 31  1  0
 11 30  1  0
  6 27  1  0
  6 28  1  0
M  END


  Mrv1652304282200162D          

 20 23  0  0  1  0            999 V2000
    3.9934    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771   -1.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -1.2375    0.0000 N   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  1  1  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  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  3 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
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 17  2  0  0  0  0
  1 18  1  6  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050862

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C[C@@H](C=C2[C@H]1CC1=CNC3=CC=CC2=C13)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1

> <INCHI_KEY>
GENAHGKEFJLNJB-QMTHXVAHSA-N

> <FORMULA>
C16H17N3O

> <MOLECULAR_WEIGHT>
267.332

> <EXACT_MASS>
267.137162179

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.286597054109723

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

> <ALOGPS_LOGP>
1.53

> <JCHEM_LOGP>
1.1205469073333338

> <ALOGPS_LOGS>
-2.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.12792046144602

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.337583598067113

> <JCHEM_PKA_STRONGEST_BASIC>
8.05332051717195

> <JCHEM_POLAR_SURFACE_AREA>
62.120000000000005

> <JCHEM_REFRACTIVITY>
79.44409999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

> <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       7.454   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.787  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.121   2.310   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.121   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.453   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.120   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.120  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.453  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.944  -2.537   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.479  -3.013   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.335  -1.982   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.655  -0.476   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -0.250   0.770   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.788  -0.770   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.122   0.000   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       8.788  -2.310   0.000  0.00  0.00           N+0
CONECT    1    2    6   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11   15                                                  
CONECT   11   10    3   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16    9                                                       
CONECT   18    1   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   46    0
END

View in JSmol

Synonyms

Value	Source
(+)-Lysergamide	ChEBI
9,10-Didehydro-6-methylergoline-8beta-carboxamide	ChEBI
Ergine	ChEBI
Lysergic acid amide	ChEBI
9,10-Didehydro-6-methylergoline-8b-carboxamide	Generator
9,10-Didehydro-6-methylergoline-8β-carboxamide	Generator
Lysergate amide	Generator
9,10-Didehydro-6-methylergoline-8 beta-carboxamide	MeSH

Chemical Formula

C₁₆H₁₇N₃O

Average Mass

267.3320 Da

Monoisotopic Mass

267.13716 Da

IUPAC Name

(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

Traditional Name

(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

CAS Registry Number

Not Available

SMILES

CN1C[C@@H](C=C2[C@H]1CC1=CNC3=CC=CC2=C13)C(N)=O

InChI Identifier

InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1

InChI Key

GENAHGKEFJLNJB-QMTHXVAHSA-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
Apis cerana	LOTUS Database	35616633
Argyreia nervosa	Plant	KNApSAcK
Claviceps purpurea	LOTUS Database	35616633
Epichloe inebrians e818	Fungi	KNApSAcK
Ipomoea argyrophylla	Plant	KNApSAcK
Ipomoea asarifolia	Plant	KNApSAcK
Ipomoea corymbosa	Plant	KNApSAcK
Ipomoea tricolor	Plant	KNApSAcK
Ipomoea violacea	Plant	KNApSAcK
Neotyphodium gansuense	-	KNApSAcK
Paspalum distichum	Plant	KNApSAcK
Periglandula ipomoeae lasaF13	-	KNApSAcK
Rhodococcus erythropolis MTHt3	Bacteria	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lysergamides. These are amides of Lysergic acids.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Ergoline and derivatives

Sub Class

Lysergic acids and derivatives

Direct Parent

Lysergamides

Alternative Parents

Substituents

Lysergic acid amide
Indoloquinoline
Benzoquinoline
Pyrroloquinoline
Quinoline-3-carboxamide
Quinoline
3-alkylindole
Indole
Indole or derivatives
Isoindole or derivatives
Aralkylamine
Benzenoid
Heteroaromatic compound
Pyrrole
Tertiary aliphatic amine
Tertiary amine
Primary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxygen compound
Amine
Organopnictogen compound
Organonitrogen compound
Carbonyl group
Organic nitrogen compound
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

ergoline alkaloid (CHEBI:4819 )
Indole alkaloids (C09160 )

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	1.53	ALOGPS
logP	1.12	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	16.34	ChemAxon
pKa (Strongest Basic)	8.05	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	62.12 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	79.44 m³·mol⁻¹	ChemAxon
Polarizability	29.29 Å³	ChemAxon
Number of Rings	4	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

C00001718

Chemspider ID

390611

KEGG Compound ID

C09160

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Lysergamides

METLIN ID

Not Available

PubChem Compound

442072

PDB ID

Not Available

ChEBI ID

4819

Good Scents ID

Not Available

References

General References

Brandt SD, Kavanagh PV, Westphal F, Stratford A, Elliott SP, Dowling G, Halberstadt AL: Analytical profile of N-ethyl-N-cyclopropyl lysergamide (ECPLA), an isomer of lysergic acid 2,4-dimethylazetidide (LSZ). Drug Test Anal. 2020 Oct;12(10):1514-1521. doi: 10.1002/dta.2911. Epub 2020 Sep 17. [PubMed:32803833 ]
Wagmann L, Frankenfeld F, Park YM, Herrmann J, Fischmann S, Westphal F, Muller R, Flockerzi V, Meyer MR: How to Study the Metabolism of New Psychoactive Substances for the Purpose of Toxicological Screenings-A Follow-Up Study Comparing Pooled Human Liver S9, HepaRG Cells, and Zebrafish Larvae. Front Chem. 2020 Jul 17;8:539. doi: 10.3389/fchem.2020.00539. eCollection 2020. [PubMed:32766204 ]
Brandt SD, Kavanagh PV, Westphal F, Stratford A, Odland AU, Klein AK, Dowling G, Dempster NM, Wallach J, Passie T, Halberstadt AL: Return of the lysergamides. Part VI: Analytical and behavioural characterization of 1-cyclopropanoyl-d-lysergic acid diethylamide (1CP-LSD). Drug Test Anal. 2020 Jun;12(6):812-826. doi: 10.1002/dta.2789. Epub 2020 Apr 20. [PubMed:32180350 ]

Showing NP-Card for Ergine (NP0050862)

MOL for NP0050862 (Ergine)

3D MOL for NP0050862 (Ergine)

3D SDF for NP0050862 (Ergine)

3D-SDF for NP0050862 (Ergine)

PDB for NP0050862 (Ergine)

3D PDB for NP0050862 (Ergine)

SMILES for NP0050862 (Ergine)

INCHI for NP0050862 (Ergine)

Structure for NP0050862 (Ergine)

3D Structure for NP0050862 (Ergine)