NP-MRD: Showing NP-Card for (9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate (NP0226522)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-06 05:35:38 UTC

Updated at

2022-09-06 05:35:38 UTC

NP-MRD ID

NP0226522

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate

Description

CHEMBL1081698 belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. (9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate is found in Schisandra arisanensis and Schisandra chinensis. Based on a literature review very few articles have been published on CHEMBL1081698.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062207352D          

 37 40  0  0  1  0            999 V2000
    4.6871    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    1.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    3.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140    2.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239    1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1376    0.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180    3.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4087    3.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    3.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    3.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4226    2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024    2.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5910    1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773    1.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397    3.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    4.6734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0871    5.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236    5.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4550    4.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672    4.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986    4.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480    5.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3419    5.0828    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1245    5.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    5.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    4.8658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7508    5.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5473    4.1495    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  2  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
  7 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
 32 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
  5 37  1  0  0  0  0
M  END


  Mrv1652309062207352D          

 37 40  0  0  1  0            999 V2000
    4.6871    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    1.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    3.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140    2.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239    1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9953    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1376    0.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8180    3.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4087    3.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    3.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    3.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4226    2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024    2.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5910    1.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773    1.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397    3.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    4.6734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0871    5.2169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236    5.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    6.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4550    4.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2672    4.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986    4.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480    5.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3419    5.0828    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1245    5.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    5.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    4.8658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7508    5.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5473    4.1495    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  2  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
  7 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
 32 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
  5 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0226522

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C(OC)=C1OC)C1=C(C=C3OCOC3=C1OC)[C@H](OC(=O)C=C(C)C)[C@@](C)(O)[C@@H](C)C2

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O9/c1-14(2)9-20(29)37-27-17-12-19-24(36-13-35-19)26(34-8)22(17)21-16(10-15(3)28(27,4)30)11-18(31-5)23(32-6)25(21)33-7/h9,11-12,15,27,30H,10,13H2,1-8H3/t15-,27-,28-/m0/s1

> <INCHI_KEY>
LCQKYZXWCLBYHK-WIKKSFEZSA-N

> <FORMULA>
C28H34O9

> <MOLECULAR_WEIGHT>
514.571

> <EXACT_MASS>
514.220282675

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
54.381865144261226

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate

> <JCHEM_LOGP>
4.465856626666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.66920650758912

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3808890735805184

> <JCHEM_POLAR_SURFACE_AREA>
101.91000000000001

> <JCHEM_REFRACTIVITY>
136.0376

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       8.749   3.903   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.231   3.409   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.673   3.944   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.680   5.484   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.350   6.260   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.013   5.496   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.006   3.956   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.098   2.362   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.858   0.588   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.336   3.180   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.817   1.535   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.857   0.287   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.527   5.901   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.763   7.238   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.777   7.245   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.553   5.914   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.789   4.577   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.751   4.571   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.103   3.006   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.348   1.366   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.824   3.437   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.228   4.070   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.061   5.601   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.168   8.724   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.163   9.738   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -1.724  10.016   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.248  11.464   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.716   8.838   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.232   9.109   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.224   7.931   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.756  10.557   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.505   9.488   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.099  11.074   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       3.297  10.927   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.991   9.083   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.135  10.273   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.755   7.746   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   37                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    6   14   18                                                  
CONECT   14   13   15   24                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18   21                                                  
CONECT   18   17   13   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   17   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   16                                                       
CONECT   24   14   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   24   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    5                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₄O₉

Average Mass

514.5710 Da

Monoisotopic Mass

514.22028 Da

IUPAC Name

(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate

Traditional Name

(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0^{2,7}.0^{14,18}]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C(OC)=C1OC)C1=C(C=C3OCOC3=C1OC)[C@H](OC(=O)C=C(C)C)[C@@](C)(O)[C@@H](C)C2

InChI Identifier

InChI=1S/C28H34O9/c1-14(2)9-20(29)37-27-17-12-19-24(36-13-35-19)26(34-8)22(17)21-16(10-15(3)28(27,4)30)11-18(31-5)23(32-6)25(21)33-7/h9,11-12,15,27,30H,10,13H2,1-8H3/t15-,27-,28-/m0/s1

InChI Key

LCQKYZXWCLBYHK-WIKKSFEZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Schisandra arisanensis	LOTUS Database	35616633
Schisandra chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Dibenzocyclooctane lignan
Benzodioxole
Anisole
Alkyl aryl ether
Fatty acid ester
Fatty acyl
Benzenoid
Enoate ester
Tertiary alcohol
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Ether
Acetal
Organoheterocyclic compound
Carbonyl group
Alcohol
Organooxygen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	4.47	ChemAxon
pKa (Strongest Acidic)	13.67	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	101.91 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	136.04 m³·mol⁻¹	ChemAxon
Polarizability	54.38 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

4884758

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6325287

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate (NP0226522)

MOL for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

3D MOL for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

3D SDF for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

3D-SDF for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

PDB for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

3D PDB for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

SMILES for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

INCHI for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

Structure for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)

3D Structure for NP0226522 ((9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl 3-methylbut-2-enoate)