NP-MRD: Showing NP-Card for chaetovirexylarione j (NP0341827)

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Record Information

Version

2.0

Created at

2024-09-21 07:16:48 UTC

Updated at

2025-06-12 01:07:58 UTC

NP-MRD ID

NP0341827

Natural Product DOI

https://doi.org/10.57994/3313

Secondary Accession Numbers

None

Natural Product Identification

Common Name

chaetovirexylarione j

Description

Chaetovirexylarione j belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. Based on a literature review very few articles have been published on chaetovirexylarione j.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 06052309482D          

 35 38  0  0  1  0            999 V2000
    1.0930   -2.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -2.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608   -1.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232   -1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286   -0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    0.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -0.0792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5535    0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159    1.2321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1213    2.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9730    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0676    0.0847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8247   -0.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2442   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9067    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8120    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6637    0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3262    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832    0.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    1.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428   -0.8988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4998   -1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803   -1.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7997    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0393    1.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -1.2266    0.0000 C   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
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 32 33  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  2  0  0  0  0
 27 35  2  0  0  0  0
  3 35  1  0  0  0  0
M  END


  Mrv2104 06052309482D          

 35 38  0  0  1  0            999 V2000
    1.0930   -2.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -2.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608   -1.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232   -1.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286   -0.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    0.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -0.0792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5535    0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159    1.2321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1213    2.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9730    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0676    0.0847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8247   -0.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2442   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9067    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8120    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6637    0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3262    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832    0.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2315    1.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428   -0.8988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4998   -1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803   -1.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520   -0.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7997    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6198    1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769    0.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0393    1.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -1.2266    0.0000 C   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
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 32 33  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  2  0  0  0  0
 27 35  2  0  0  0  0
  3 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0341827

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C[C@@H](C)[C@@]3(C[C@H](C[C@H](C)O3)NCC\C(C)=C\C(O)=O)OC2=C2C(=O)C=C(CO)OC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H33NO8/c1-14(7-23(30)31)5-6-27-17-9-16(3)34-26(12-17)15(2)8-19-21(32-4)11-22-24(25(19)35-26)20(29)10-18(13-28)33-22/h7,10-11,15-17,27-28H,5-6,8-9,12-13H2,1-4H3,(H,30,31)/b14-7+/t15-,16+,17+,26-/m1/s1

> <INCHI_KEY>
RZBLNCVPOCFFNW-YDNDFTKOSA-N

> <FORMULA>
C26H33NO8

> <MOLECULAR_WEIGHT>
487.549

> <EXACT_MASS>
487.220617027

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
51.72370454253787

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-5-{[(2R,3'R,4S,6S)-8'-(hydroxymethyl)-5'-methoxy-3',6-dimethyl-10'-oxo-4',10'-dihydro-3'H-spiro[oxane-2,2'-pyrano[2,3-f]chromen]-4-yl]amino}-3-methylpent-2-enoic acid

> <JCHEM_LOGP>
0.2457351487830397

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.349276890972138

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.893357987673832

> <JCHEM_PKA_STRONGEST_BASIC>
10.238302991101513

> <JCHEM_POLAR_SURFACE_AREA>
123.55000000000001

> <JCHEM_REFRACTIVITY>
129.58029999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-5-[(2R,3'R,4S,6S)-8'-(hydroxymethyl)-5'-methoxy-3',6-dimethyl-10'-oxo-3',4'-dihydrospiro[oxane-2,2'-pyrano[2,3-f]chromen]-4-ylamino]-3-methylpent-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-JUN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-JUN-23         0                                  
HETATM    1  C   UNK     0       2.040  -5.349   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.277  -4.431   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.100  -2.902   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.337  -1.984   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.160  -0.454   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.397   0.464   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.810  -0.148   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.633   1.382   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       7.870   2.300   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.693   3.830   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.283   1.688   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.460   0.158   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      10.873  -0.454   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      12.109   0.464   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.523  -0.148   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.759   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.582   2.300   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.172   0.158   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.409   1.076   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      18.822   0.464   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      17.232   2.606   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.223  -0.760   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.986  -1.678   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.400  -2.290   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.750  -2.596   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.747   0.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.510  -0.760   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.097  -0.148   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -0.080   1.382   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.493   1.994   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -2.729   1.076   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.157   2.300   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.570   1.688   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.807   2.606   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.687  -2.290   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   35                                                  
CONECT    4    3    5   25                                                  
CONECT    5    4    6   26                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   22   23                                             
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   12    7                                                       
CONECT   23    7   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    4                                                       
CONECT   26    5   27   33                                                  
CONECT   27   26   28   35                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33                                                       
CONECT   33   32   26   34                                                  
CONECT   34   33                                                            
CONECT   35   27    3                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₃NO₈

Average Mass

487.5490 Da

Monoisotopic Mass

487.22062 Da

IUPAC Name

(2E)-5-{[(2R,3'R,4S,6S)-8'-(hydroxymethyl)-5'-methoxy-3',6-dimethyl-10'-oxo-4',10'-dihydro-3'H-spiro[oxane-2,2'-pyrano[2,3-f]chromen]-4-yl]amino}-3-methylpent-2-enoic acid

Traditional Name

(2E)-5-[(2R,3'R,4S,6S)-8'-(hydroxymethyl)-5'-methoxy-3',6-dimethyl-10'-oxo-3',4'-dihydrospiro[oxane-2,2'-pyrano[2,3-f]chromen]-4-ylamino]-3-methylpent-2-enoic acid

CAS Registry Number

Not Available

SMILES

COC1=C2C[C@@H](C)[C@@]3(C[C@H](C[C@H](C)O3)NCC\C(C)=C\C(O)=O)OC2=C2C(=O)C=C(CO)OC2=C1

InChI Identifier

InChI=1S/C26H33NO8/c1-14(7-23(30)31)5-6-27-17-9-16(3)34-26(12-17)15(2)8-19-21(32-4)11-22-24(25(19)35-26)20(29)10-18(13-28)33-22/h7,10-11,15-17,27-28H,5-6,8-9,12-13H2,1-4H3,(H,30,31)/b14-7+/t15-,16+,17+,26-/m1/s1

InChI Key

RZBLNCVPOCFFNW-YDNDFTKOSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600.203706235 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600.203706235, CDCl₃, simulated)	sitian_zhang@163.com	huazhong university of science and technology	sitian zhang	2024-09-21	View Spectrum

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Chromones

Alternative Parents

Substituents

Chromone
Anisole
Ketal
Pyranone
Dihydropyranone
Alkyl aryl ether
Alpha-branched alpha,beta-unsaturated-ketone
Benzenoid
Pyran
Oxane
Heteroaromatic compound
Vinylogous ester
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Amino acid
Ketone
Amino acid or derivatives
Oxacycle
Secondary amine
Monocarboxylic acid or derivatives
Ether
Secondary aliphatic amine
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
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	0.25	ChemAxon
pKa (Strongest Acidic)	3.89	ChemAxon
pKa (Strongest Basic)	10.24	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	123.55 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	129.58 m³·mol⁻¹	ChemAxon
Polarizability	51.72 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

Showing NP-Card for chaetovirexylarione j (NP0341827)

MOL for NP0341827 (chaetovirexylarione j)

3D MOL for NP0341827 (chaetovirexylarione j)

3D SDF for NP0341827 (chaetovirexylarione j)

3D-SDF for NP0341827 (chaetovirexylarione j)

PDB for NP0341827 (chaetovirexylarione j)

3D PDB for NP0341827 (chaetovirexylarione j)

SMILES for NP0341827 (chaetovirexylarione j)

INCHI for NP0341827 (chaetovirexylarione j)

Structure for NP0341827 (chaetovirexylarione j)

3D Structure for NP0341827 (chaetovirexylarione j)