NP-MRD: Showing NP-Card for (-)-salutaridine (NP0262735)

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Record Information

Version

2.0

Created at

2022-09-08 05:41:15 UTC

Updated at

2022-09-08 05:41:15 UTC

NP-MRD ID

NP0262735

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-salutaridine

Description

Sinoacutine, also known as salutaridine, belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. (-)-salutaridine is found in Antizoma angustifolia, Artabotrys hexapetalus, Cassytha filiformis, Cissampelos capensis, Cocculus carolinus, Croton salutaris, Glaucium flavum, Nandina domestica, Platycapnos saxicola, Sinomenium acutum, Stephania cephalantha and Stephania pierrei. (-)-salutaridine was first documented in 2020 (PMID: 32843671). Based on a literature review a small amount of articles have been published on Sinoacutine (PMID: 35343165) (PMID: 35099357) (PMID: 34801005) (PMID: 33424592).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -3.4810   -3.4777   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5762   -3.0599   -1.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151   -1.7531   -1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3967   -1.3630   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779   -0.0472    0.0118 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3428    0.7449    1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239    1.9457    0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423    2.8725   -0.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683    4.0562    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432    2.2420   -0.9671 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8511    2.3294   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429    0.9934    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    0.9250    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989   -0.2541    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366   -1.3866    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855   -2.5948    0.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7711   -2.6822    0.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -1.3525    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -2.5642    0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7198   -0.1633    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9456    0.8644   -1.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565    0.4944   -2.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426   -0.8511   -2.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7335   -1.2447   -3.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8398   -4.4904   -0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9709   -3.3507    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3440   -2.7806   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830   -2.0593    0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0574    0.0603    1.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756    1.0089    1.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505    2.4746    1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0589    1.6377    0.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062    4.5227    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    4.8128    0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855    3.8378    1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    2.7804   -1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    2.8307    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    2.9288   -0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.8376    0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5901   -0.2905    0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3004   -2.5463   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802   -1.9392    1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0544   -3.6828    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -3.4339    0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611    1.1676   -3.0730 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
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  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  1  0
 15 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23  3  1  0
 20  5  1  0
 21  5  1  0
 20 12  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  9 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  6
 11 37  1  0
 11 38  1  0
 13 39  1  0
 14 40  1  0
 17 41  1  0
 17 42  1  0
 17 43  1  0
 19 44  1  0
 22 45  1  0
M  END


  Mrv1652309082207412D          

 24 27  0  0  1  0            999 V2000
    3.9603    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319    1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038    1.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756    0.9062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9559    0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356   -0.6525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -1.1661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0010   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410   -0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2711   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2608    0.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845    0.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911    1.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472   -0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    0.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061   -0.5991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  0  0  0  0
  8  9  1  0  0  0  0
  8 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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 12 20  1  0  0  0  0
  5 20  1  0  0  0  0
 10 21  1  1  0  0  0
  5 21  1  1  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0262735

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C[C@@]23CCN(C)[C@@H](CC4=CC=C(OC)C(O)=C24)C3=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m0/s1

> <INCHI_KEY>
GVTRUVGBZQJVTF-ORAYPTAESA-N

> <FORMULA>
C19H21NO4

> <MOLECULAR_WEIGHT>
327.38

> <EXACT_MASS>
327.14705816

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
34.739223028756825

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6,10,13-pentaen-12-one

> <JCHEM_LOGP>
1.635103896333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
18.68122879233741

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.732355197802773

> <JCHEM_PKA_STRONGEST_BASIC>
7.405825685495437

> <JCHEM_POLAR_SURFACE_AREA>
59.00000000000001

> <JCHEM_REFRACTIVITY>
93.74709999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6,10,13-pentaen-12-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       7.393   3.863   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.340   2.324   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.413   1.649   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.674   2.415   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.315   1.692   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.784   1.517   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.826   0.312   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       1.000  -1.218   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -0.347  -1.964   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.205  -2.177   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.735  -2.002   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.743  -1.230   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.106  -1.411   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.344  -0.496   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.170   1.035   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.408   1.950   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.820   1.336   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.758   1.649   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.583   3.179   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.520   0.733   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.262   0.152   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.568  -0.663   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.927   0.061   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.918  -1.118   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   20   21                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   12    5                                                  
CONECT   21   10    5   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22    3   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Value	Source
Salutaridine, (9alpha,13alpha)-isomer	MeSH
Salutaridine	MeSH
Salutaridine, (+-)-isomer	MeSH

Chemical Formula

C₁₉H₂₁NO₄

Average Mass

327.3800 Da

Monoisotopic Mass

327.14706 Da

IUPAC Name

(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6,10,13-pentaen-12-one

Traditional Name

(1R,9S)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6,10,13-pentaen-12-one

CAS Registry Number

Not Available

SMILES

COC1=C[C@@]23CCN(C)[C@@H](CC4=CC=C(OC)C(O)=C24)C3=CC1=O

InChI Identifier

InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m0/s1

InChI Key

GVTRUVGBZQJVTF-ORAYPTAESA-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
Antizoma angustifolia	LOTUS Database	35616633
Artabotrys hexapetalus	LOTUS Database	35616633
Cassytha filiformis	LOTUS Database	35616633
Cissampelos capensis	LOTUS Database	35616633
Cocculus carolinus	LOTUS Database	35616633
Croton salutaris	LOTUS Database	35616633
Glaucium flavum	LOTUS Database	35616633
Nandina domestica	LOTUS Database	35616633
Platycapnos saxicola	LOTUS Database	35616633
Sinomenium acutum	LOTUS Database	35616633
Stephania cephalantha	LOTUS Database	35616633
Stephania pierrei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
Benzazocine
Isoquinolone
Tetralin
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Phenol
Aralkylamine
Piperidine
Tertiary aliphatic amine
Tertiary amine
Cyclic ketone
Ketone
Azacycle
Organoheterocyclic compound
Ether
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Amine
Organic oxygen compound
Carbonyl group
Organic oxide
Organic nitrogen 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	1.64	ChemAxon
pKa (Strongest Acidic)	9.73	ChemAxon
pKa (Strongest Basic)	7.41	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	59 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	93.75 m³·mol⁻¹	ChemAxon
Polarizability	34.74 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

C00025629

Chemspider ID

16738455

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

821366

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Huang YF, He F, Wang CJ, Xie Y, Zhang YY, Sang Z, Qiu P, Luo P, Xiao SY, Li J, Wu FC, Liu L, Zhou H: Discovery of chemical markers for improving the quality and safety control of Sinomenium acutum stem by the simultaneous determination of multiple alkaloids using UHPLC-QQQ-MS/MS. Sci Rep. 2020 Aug 25;10(1):14182. doi: 10.1038/s41598-020-71133-4. [PubMed:32843671 ]
Hu J, Weng L, Zhang C, Zhao SM, Ge KW, DI K, Cao M, Wang HS, Zhao LG, Liu LY: [Components of drugs in acupoint sticking therapy and its mechanism of intervention on bronchial asthma based on UPLC-Q-TOF-MS combined with network pharmacology and experimental verification]. Zhongguo Zhong Yao Za Zhi. 2022 Mar;47(5):1359-1369. doi: 10.19540/j.cnki.cjcmm.20210903.401. [PubMed:35343165 ]
Zhu L, Mei J, Peng C, Zhao Y, Liu Y, Cui L, Zhang K, Ma Y: Pharmacokinetics, tissue distribution, plasma protein binding rate and excretion of sinoacutine following intravenous administration in female and male Sprague-Dawley rats. Xenobiotica. 2022 Jan;52(1):91-98. doi: 10.1080/00498254.2022.2036390. Epub 2022 Feb 16. [PubMed:35099357 ]
Zhao Y, Cui L, Yang XX, Sun X, Liu Y, Yang Z, Zhu L, Peng C, Li D, Cai J, Ma Y: Sinoacutine inhibits inflammatory responses to attenuates acute lung injury by regulating NF-kappaB and JNK signaling pathways. BMC Complement Med Ther. 2021 Nov 20;21(1):284. doi: 10.1186/s12906-021-03458-0. [PubMed:34801005 ]
Hu L, Chen Y, Chen T, Huang D, Li S, Cui S: A Systematic Study of Mechanism of Sargentodoxa cuneata and Patrinia scabiosifolia Against Pelvic Inflammatory Disease With Dampness-Heat Stasis Syndrome via Network Pharmacology Approach. Front Pharmacol. 2020 Dec 4;11:582520. doi: 10.3389/fphar.2020.582520. eCollection 2020. [PubMed:33424592 ]
LOTUS database [Link]

Showing NP-Card for (-)-salutaridine (NP0262735)

MOL for NP0262735 ((-)-salutaridine)

3D MOL for NP0262735 ((-)-salutaridine)

3D SDF for NP0262735 ((-)-salutaridine)

3D-SDF for NP0262735 ((-)-salutaridine)

PDB for NP0262735 ((-)-salutaridine)

3D PDB for NP0262735 ((-)-salutaridine)

SMILES for NP0262735 ((-)-salutaridine)

INCHI for NP0262735 ((-)-salutaridine)

Structure for NP0262735 ((-)-salutaridine)

3D Structure for NP0262735 ((-)-salutaridine)