NP-MRD: Showing NP-Card for (1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate (NP0242750)

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Record Information

Version

2.0

Created at

2022-09-07 03:08:16 UTC

Updated at

2022-09-07 03:08:16 UTC

NP-MRD ID

NP0242750

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate

Description

Oxysophocarpine belongs to the class of organic compounds known as matrine alkaloids. These are lupin alkaloids with a structure based on the matrine skeleton, a four-ring skeleton that based on a saturated dipyrido[2,1-f:3',2',1'-Ij][1,6]naphthyridin-10-one skeleton. (1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate is found in Ammodendron bifolium, Sophora alopecuroides and Sophora tonkinensis. (1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate was first documented in 2021 (PMID: 34678999). Based on a literature review a small amount of articles have been published on Oxysophocarpine (PMID: 35970410) (PMID: 35620295) (PMID: 34581081) (PMID: 34467713).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
    3.2094   -2.1794   -1.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097   -1.0282   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946   -0.1920   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8333    0.9929    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4992    1.5704    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3385    0.7550   -0.1051 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3295    0.6352    1.0242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2996    2.0173    1.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821    2.3406   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9781    1.1457   -0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695    0.0743    0.5396 N   0  0  1  0  0  4  0  0  0  0  0  0
   -2.5270    0.6340    1.6722 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9300   -0.9025    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4053   -1.8209   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796   -2.6010   -0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2219   -1.6344    0.0979 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5630   -1.2935   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -0.5107   -0.6432 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809   -0.4422    0.8803 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1328   -0.5692   -0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7171    1.5756    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590    2.5548   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    1.8970    1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657    1.3089   -0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658    0.5236    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144    2.1504    2.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5181    2.7687    1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6149    2.7090   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221    3.2090    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679    0.8283   -1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    1.4895   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2102   -1.5470    0.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8228   -0.3597   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9574   -1.2675   -1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976   -2.4844   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -3.2963   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7342   -3.1072    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221   -2.1940    0.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9469   -2.2265   -1.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0451   -0.6740   -1.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221   -0.8492    1.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  7 19  1  0
 10 11  1  0
 19 11  1  0
 19 16  1  0
  2 18  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  1
 17 39  1  0
 17 40  1  0
  6 24  1  6
  5 22  1  0
  5 23  1  0
  4 21  1  0
  3 20  1  0
  7 25  1  1
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 10 31  1  0
 19 41  1  1
M  CHG  2  11   1  12  -1
M  END


  Mrv1652309072205082D          

 19 22  0  0  1  0            999 V2000
    3.5724    2.0625    0.0000 O   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
    4.2868    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
    2.8579   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  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
    1.4289   -1.6500    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
    0.7145   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  5  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  1  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
  6 18  1  6  0  0  0
 16 19  1  0  0  0  0
  7 19  1  0  0  0  0
 19 11  1  1  0  0  0
M  CHG  2  11   1  12  -1
M  END
> <DATABASE_ID>
NP0242750

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[O-][N+]12CCC[C@H]3CN4[C@H](CC=CC4=O)[C@@H](CCC1)[C@@H]23

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-,17?/m0/s1

> <INCHI_KEY>
QMGGMESMCJCABO-LHDUFFHYSA-N

> <FORMULA>
C15H22N2O2

> <MOLECULAR_WEIGHT>
262.353

> <EXACT_MASS>
262.168127956

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
28.66450820090786

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadec-4-en-13-ium-13-olate

> <JCHEM_LOGP>
-0.05062438166666733

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.017146416444316

> <JCHEM_PKA_STRONGEST_BASIC>
3.8187581021821235

> <JCHEM_POLAR_SURFACE_AREA>
43.37

> <JCHEM_REFRACTIVITY>
74.58670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadec-4-en-13-ium-13-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   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       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+1
HETATM   12  O   UNK     0       0.000  -1.540   0.000  0.00  0.00           O-1
HETATM   13  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   1.540   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  N   UNK     0       5.335   1.540   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   18                                                  
CONECT    7    6    8   19                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   19                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17    2    6                                                  
CONECT   19   16    7   11                                                  
MASTER        0    0    0    0    0    0    0    0   19    0   44    0
END

View in JSmol

Synonyms

Value	Source
Sophocarpidine	MeSH

Chemical Formula

C₁₅H₂₂N₂O₂

Average Mass

262.3530 Da

Monoisotopic Mass

262.16813 Da

IUPAC Name

(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadec-4-en-13-ium-13-olate

Traditional Name

(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadec-4-en-13-ium-13-olate

CAS Registry Number

Not Available

SMILES

[O-][N+]12CCC[C@H]3CN4[C@H](CC=CC4=O)[C@@H](CCC1)[C@@H]23

InChI Identifier

InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-,17?/m0/s1

InChI Key

QMGGMESMCJCABO-LHDUFFHYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Ammodendron bifolium	LOTUS Database	35616633
Sophora alopecuroides	LOTUS Database	35616633
Sophora tonkinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as matrine alkaloids. These are lupin alkaloids with a structure based on the matrine skeleton, a four-ring skeleton that based on a saturated dipyrido[2,1-f:3',2',1'-Ij][1,6]naphthyridin-10-one skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Lupin alkaloids

Sub Class

Matrine alkaloids

Direct Parent

Matrine alkaloids

Alternative Parents

Substituents

Matrine
Diazanaphthalene
Naphthyridine
Quinolizidine
Piperidine
Tertiary carboxylic acid amide
Trialkyl amine oxide
Carboxamide group
Lactam
Azacycle
Organoheterocyclic compound
N-oxide
Trisubstituted n-oxide
Carboxylic acid derivative
Organic zwitterion
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-0.051	ChemAxon
pKa (Strongest Acidic)	18.02	ChemAxon
pKa (Strongest Basic)	3.82	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	43.37 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	74.59 m³·mol⁻¹	ChemAxon
Polarizability	28.66 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

C00007762

Chemspider ID

141894

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

161544

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

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LOTUS database [Link]

Showing NP-Card for (1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate (NP0242750)

MOL for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

3D MOL for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

3D SDF for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

3D-SDF for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

PDB for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

3D PDB for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

SMILES for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

INCHI for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

Structure for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)

3D Structure for NP0242750 ((1r,2r,9s,17s)-6-oxo-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-13-ium-13-olate)