NP-MRD: Showing NP-Card for Compound 10 (NP0332277)

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Record Information

Version

2.0

Created at

2023-12-21 12:03:05 UTC

Updated at

2024-09-03 04:18:40 UTC

NP-MRD ID

NP0332277

Natural Product DOI

https://doi.org/10.57994/1472

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Compound 10

Description

Compound 10 belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively. Compound 10 was first documented in 2024 (PMID: 39216195). Based on a literature review a small amount of articles have been published on Compound 10 (PMID: 39206852) (PMID: 39125904) (PMID: 39075227) (PMID: 39072116).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 12212312032D          

 34 36  0  0  1  0            999 V2000
    1.3588   -0.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303   -1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -2.2678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0034   -3.0882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7179   -3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -6.8007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -7.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -5.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953   -2.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023   -2.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037   -1.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -2.0962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2253   -1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019   -0.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    0.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  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  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 10 19  1  0  0  0  0
  4 20  1  6  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  1  0  0  0
  3 24  1  0  0  0  0
 24 22  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 25 34  1  0  0  0  0
M  END


  Mrv2104 12212312032D          

 34 36  0  0  1  0            999 V2000
    1.3588   -0.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303   -1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -2.2678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0034   -3.0882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7179   -3.5007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -5.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -6.8007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -7.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -5.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -4.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953   -2.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023   -2.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037   -1.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -2.0962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2253   -1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019   -0.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374    0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    0.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  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  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 10 19  1  0  0  0  0
  4 20  1  6  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  1  0  0  0
  3 24  1  0  0  0  0
 24 22  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  2  0  0  0  0
 25 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332277

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CO[C@@H](C2=CC(OC)=C(OC)C=C2)[C@]1([H])CO)[C@H](OCOC)C1=CC=C(OC)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H32O8/c1-26-14-32-24(16-7-9-20(28-3)22(11-16)30-5)18-13-31-23(17(18)12-25)15-6-8-19(27-2)21(10-15)29-4/h6-11,17-18,23-25H,12-14H2,1-5H3/t17-,18+,23+,24-/m1/s1

> <INCHI_KEY>
OULUSHUCNONZOD-HJOCRKTISA-N

> <FORMULA>
C24H32O8

> <MOLECULAR_WEIGHT>
448.512

> <EXACT_MASS>
448.20971799

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
47.9224415748187

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(2R,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(methoxymethoxy)methyl]oxolan-3-yl]methanol

> <JCHEM_LOGP>
2.114096024666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.35990722113507

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6413765814755203

> <JCHEM_POLAR_SURFACE_AREA>
84.84000000000002

> <JCHEM_REFRACTIVITY>
118.1791

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(methoxymethoxy)methyl]oxolan-3-yl]methanol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 21-DEC-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-DEC-23         0                                  
HETATM    1  O   UNK     0       2.536  -1.696   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.857  -3.203   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.712  -4.233   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.873  -5.765   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.207  -6.535   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.540  -5.765   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.874  -6.535   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.208  -5.765   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.541  -6.535   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.207  -8.075   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.540  -8.845   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.540 -10.385   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.207 -11.155   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.207 -12.695   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.873 -13.465   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.873 -10.385   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.539 -11.155   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.794 -10.385   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.873  -8.845   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0       3.165  -4.926   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0       0.466  -6.391   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.564  -5.247   0.000  0.00  0.00           O+0
HETATM   23  H   UNK     0       1.314  -2.746   0.000  0.00  0.00           H+0
HETATM   24  C   UNK     0       0.206  -3.913   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.421  -2.506   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.952  -2.345   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.579  -0.938   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.110  -0.777   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.736   0.630   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.673   0.308   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -2.300   1.714   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -3.831   1.875   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.142   0.147   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.485  -1.260   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23   24                                             
CONECT    4    3    5   20   21                                             
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    5   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   10                                                       
CONECT   20    4                                                            
CONECT   21    4   22                                                       
CONECT   22   21   24                                                       
CONECT   23    3                                                            
CONECT   24    3   22   25                                                  
CONECT   25   24   26   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34                                                       
CONECT   34   33   25                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₂O₈

Average Mass

448.5120 Da

Monoisotopic Mass

448.20972 Da

IUPAC Name

[(2R,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(methoxymethoxy)methyl]oxolan-3-yl]methanol

Traditional Name

[(2R,3S,4R)-2-(3,4-dimethoxyphenyl)-4-[(S)-(3,4-dimethoxyphenyl)(methoxymethoxy)methyl]oxolan-3-yl]methanol

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CO[C@@H](C2=CC(OC)=C(OC)C=C2)[C@]1([H])CO)[C@H](OCOC)C1=CC=C(OC)C(OC)=C1

InChI Identifier

InChI=1S/C24H32O8/c1-26-14-32-24(16-7-9-20(28-3)22(11-16)30-5)18-13-31-23(17(18)12-25)15-6-8-19(27-2)21(10-15)29-4/h6-11,17-18,23-25H,12-14H2,1-5H3/t17-,18+,23+,24-/m1/s1

InChI Key

OULUSHUCNONZOD-HJOCRKTISA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	View Spectrum
1D NMR	Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	Not Available	Keio University	Haruhisa Kikuchi	2024-03-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	halkiku@keio.jp	Keio University	Haruhisa Kikuchi	2024-05-14	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

7,9'-epoxylignans

Alternative Parents

Substituents

7,9p-epoxylignan
Fatty alcohol
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Tetrahydrofuran
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Acetal
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	2.11	ChemAxon
pKa (Strongest Acidic)	15.36	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	84.84 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	118.18 m³·mol⁻¹	ChemAxon
Polarizability	47.92 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wang M, Jiang S, Deng Y, Tian T, Zafar S, Xie Q, Yuan H, Jian Y, Wang W: Nine new nor-3,4-seco-dammarane triterpenoids from the leaves of Cyclocarya paliurus and their hypoglycemic activity. Bioorg Chem. 2024 Nov;152:107763. doi: 10.1016/j.bioorg.2024.107763. Epub 2024 Aug 25. [PubMed:39216195 ]
Wu C, Jiang Q, Zhong H, Zhou X, Liu L, Pan T, Liu C, Wang W, Sheng W: Design, synthesis, and biological activity evaluation of dihydromyricetin derivatives against SARS-CoV-2-Omicron virus. J Enzyme Inhib Med Chem. 2024 Dec;39(1):2390909. doi: 10.1080/14756366.2024.2390909. Epub 2024 Aug 29. [PubMed:39206852 ]
Monroy-Cardenas M, Almarza C, Valenzuela-Hormazabal P, Ramirez D, Urra FA, Martinez-Cifuentes M, Araya-Maturana R: Identification of Antioxidant Methyl Derivatives of Ortho-Carbonyl Hydroquinones That Reduce Caco-2 Cell Energetic Metabolism and Alpha-Glucosidase Activity. Int J Mol Sci. 2024 Jul 30;25(15):8334. doi: 10.3390/ijms25158334. [PubMed:39125904 ]
Shen SM, Yu DD, Ke LM, Yao LG, Su MZ, Guo YW: Polyoxygenated cembrane-type diterpenes from the Hainan soft coral Lobophytum crassum as a promising source of anticancer agents with ErbB3 and ROR1 inhibitory potential. Acta Pharmacol Sin. 2024 Jul 29. doi: 10.1038/s41401-024-01347-z. [PubMed:39075227 ]
Tesfaye D, Endale M, Ramachandran VP, Getaneh E, Amenu G, Guta L, Demissie TB, Ombito JO, Eswaramoorthy R, Melaku Y: Antibacterial and Cytotoxicity of Extracts and Isolated Compounds from Artemisia abyssinica: A Combined Experimental and Computational Study. ACS Omega. 2024 Jul 10;9(29):31508-31520. doi: 10.1021/acsomega.4c01096. eCollection 2024 Jul 23. [PubMed:39072116 ]

Showing NP-Card for Compound 10 (NP0332277)

MOL for NP0332277 (Compound 10)

3D MOL for NP0332277 (Compound 10)

3D SDF for NP0332277 (Compound 10)

3D-SDF for NP0332277 (Compound 10)

PDB for NP0332277 (Compound 10)

3D PDB for NP0332277 (Compound 10)

SMILES for NP0332277 (Compound 10)

INCHI for NP0332277 (Compound 10)

Structure for NP0332277 (Compound 10)

3D Structure for NP0332277 (Compound 10)