NP-MRD: Showing NP-Card for Divanillyltetrahydrofuran ferulate (NP0335248)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2024-09-11 00:44:23 UTC

Updated at

2024-09-11 00:44:24 UTC

NP-MRD ID

NP0335248

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Divanillyltetrahydrofuran ferulate

Description

Divanillyltetrahydrofuran ferulate belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group). Divanillyltetrahydrofuran ferulate was first documented in 2024 (PMID: 39066533). Based on a literature review very few articles have been published on Divanillyltetrahydrofuran ferulate.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262303162D          

 38 41  0  0  0  0            999 V2000
   -2.3984   -4.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431   -0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -1.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6577   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861   -2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284    0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -3.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -2.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400   -2.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    3.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093   -2.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -3.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -0.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -1.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 19  4  1  0  0  0  0
 19  7  1  0  0  0  0
 19 14  2  0  0  0  0
 20  5  1  0  0  0  0
 20 12  1  0  0  0  0
 20 15  2  0  0  0  0
 21  6  1  0  0  0  0
 21 13  1  0  0  0  0
 21 16  2  0  0  0  0
 22 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 13  1  0  0  0  0
 23 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 14  1  0  0  0  0
 27 24  2  0  0  0  0
 28 15  1  0  0  0  0
 28 25  2  0  0  0  0
 29 16  1  0  0  0  0
 29 26  2  0  0  0  0
 30 11  1  0  0  0  0
 31 24  1  0  0  0  0
 32 25  1  0  0  0  0
 33 30  2  0  0  0  0
 34  1  1  0  0  0  0
 34 27  1  0  0  0  0
 35  2  1  0  0  0  0
 35 28  1  0  0  0  0
 36  3  1  0  0  0  0
 36 29  1  0  0  0  0
 37 17  1  0  0  0  0
 37 18  1  0  0  0  0
 38 26  1  0  0  0  0
 38 30  1  0  0  0  0
M  END


  Mrv2104 05262303162D          

 38 41  0  0  0  0            999 V2000
   -2.3984   -4.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431   -0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -1.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4700   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116   -2.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5846    0.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6577   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861   -2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284    0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554   -2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -3.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -2.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400   -2.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    3.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093   -2.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138   -3.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -0.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -1.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 19  4  1  0  0  0  0
 19  7  1  0  0  0  0
 19 14  2  0  0  0  0
 20  5  1  0  0  0  0
 20 12  1  0  0  0  0
 20 15  2  0  0  0  0
 21  6  1  0  0  0  0
 21 13  1  0  0  0  0
 21 16  2  0  0  0  0
 22 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 13  1  0  0  0  0
 23 18  1  0  0  0  0
 23 22  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 14  1  0  0  0  0
 27 24  2  0  0  0  0
 28 15  1  0  0  0  0
 28 25  2  0  0  0  0
 29 16  1  0  0  0  0
 29 26  2  0  0  0  0
 30 11  1  0  0  0  0
 31 24  1  0  0  0  0
 32 25  1  0  0  0  0
 33 30  2  0  0  0  0
 34  1  1  0  0  0  0
 34 27  1  0  0  0  0
 35  2  1  0  0  0  0
 35 28  1  0  0  0  0
 36  3  1  0  0  0  0
 36 29  1  0  0  0  0
 37 17  1  0  0  0  0
 37 18  1  0  0  0  0
 38 26  1  0  0  0  0
 38 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335248

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=CC(CC2COCC2CC2=CC(OC)=C(OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1/C30H32O8/c1-34-27-14-19(4-8-24(27)31)7-11-30(33)38-26-10-6-21(16-29(26)36-3)13-23-18-37-17-22(23)12-20-5-9-25(32)28(15-20)35-2/h4-11,14-16,22-23,31-32H,12-13,17-18H2,1-3H3/b11-7+

> <INCHI_KEY>
WUMFMXNTYLFVSJ-YRNVUSSQNA-N

> <FORMULA>
C30H32O8

> <MOLECULAR_WEIGHT>
520.578

> <EXACT_MASS>
520.20971799

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
55.96178854237631

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-({4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl}methyl)-2-methoxyphenyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
5.536919671333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.410484664529388

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.72054010126578

> <JCHEM_PKA_STRONGEST_BASIC>
-3.947343409045803

> <JCHEM_POLAR_SURFACE_AREA>
103.68000000000002

> <JCHEM_REFRACTIVITY>
143.7887

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-({4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl}methyl)-2-methoxyphenyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -4.477  -7.748   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.533   2.195   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.271  -0.374   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.052  -2.753   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.468   6.045   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.267  -0.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.557  -3.308   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.516  -3.229   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.135   6.815   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.877  -1.802   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.702  -4.338   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.802   3.735   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.091   1.766   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.228  -5.290   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.135   3.735   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.518   1.211   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.048   1.290   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.032  -0.175   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.907  -3.784   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.468   4.505   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.053   0.735   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.802   2.195   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.556   1.290   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.837  -4.736   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.199   6.045   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.342  -1.326   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.692  -5.766   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.199   4.505   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.662   0.181   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.166  -3.863   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.301  -5.212   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.533   6.815   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.311  -4.893   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.012  -7.272   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.533   3.735   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.127   0.657   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.572  -0.175   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       3.486  -2.356   0.000  0.00  0.00           O+0
CONECT    1   34                                                            
CONECT    2   35                                                            
CONECT    3   36                                                            
CONECT    4    8   19                                                       
CONECT    5    9   20                                                       
CONECT    6   10   21                                                       
CONECT    7   11   19                                                       
CONECT    8    4   24                                                       
CONECT    9    5   25                                                       
CONECT   10    6   26                                                       
CONECT   11    7   30                                                       
CONECT   12   20   22                                                       
CONECT   13   21   23                                                       
CONECT   14   19   27                                                       
CONECT   15   20   28                                                       
CONECT   16   21   29                                                       
CONECT   17   22   37                                                       
CONECT   18   23   37                                                       
CONECT   19    4    7   14                                                  
CONECT   20    5   12   15                                                  
CONECT   21    6   13   16                                                  
CONECT   22   12   17   23                                                  
CONECT   23   13   18   22                                                  
CONECT   24    8   27   31                                                  
CONECT   25    9   28   32                                                  
CONECT   26   10   29   38                                                  
CONECT   27   14   24   34                                                  
CONECT   28   15   25   35                                                  
CONECT   29   16   26   36                                                  
CONECT   30   11   33   38                                                  
CONECT   31   24                                                            
CONECT   32   25                                                            
CONECT   33   30                                                            
CONECT   34    1   27                                                       
CONECT   35    2   28                                                       
CONECT   36    3   29                                                       
CONECT   37   17   18                                                       
CONECT   38   26   30                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

View in JSmol

Synonyms

Value	Source
Divanillyltetrahydrofuran ferulic acid	Generator

Chemical Formula

C₃₀H₃₂O₈

Average Mass

520.5780 Da

Monoisotopic Mass

520.20972 Da

IUPAC Name

4-({4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl}methyl)-2-methoxyphenyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Traditional Name

4-({4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl}methyl)-2-methoxyphenyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(CC2COCC2CC2=CC(OC)=C(OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)C=C2)=C1

InChI Identifier

InChI=1/C30H32O8/c1-34-27-14-19(4-8-24(27)31)7-11-30(33)38-26-10-6-21(16-29(26)36-3)13-23-18-37-17-22(23)12-20-5-9-25(32)28(15-20)35-2/h4-11,14-16,22-23,31-32H,12-13,17-18H2,1-3H3/b11-7+

InChI Key

WUMFMXNTYLFVSJ-YRNVUSSQNA-N

Experimental Spectra

Not Available

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 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group).

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

9,9'-epoxylignans

Alternative Parents

Substituents

9,9p-epoxylignan
Cinnamic acid or derivatives
Coumaric acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Methoxyphenol
Phenol ester
Anisole
Phenoxy compound
Phenol ether
Styrene
Methoxybenzene
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Dialkyl ether
Ether
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
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	5.54	ChemAxon
pKa (Strongest Acidic)	9.72	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	103.68 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	143.79 m³·mol⁻¹	ChemAxon
Polarizability	55.96 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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

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

Jing Y, Huimin F, Fang Q, Haijun W, Luyun Y, Xiaofei J, Jiyu Z, Hongyang W, Xiaoqin Y: Effect on serum metabolomics of rats with premature ovarian insufficiency by Zhibian (BL54) through Shuidao (ST28) acupuncture. J Tradit Chin Med. 2024 Aug;44(4):722-733. doi: 10.19852/j.cnki.jtcm.20231226.001. [PubMed:39066533 ]

Showing NP-Card for Divanillyltetrahydrofuran ferulate (NP0335248)

MOL for NP0335248 (Divanillyltetrahydrofuran ferulate)

3D MOL for NP0335248 (Divanillyltetrahydrofuran ferulate)

3D SDF for NP0335248 (Divanillyltetrahydrofuran ferulate)

3D-SDF for NP0335248 (Divanillyltetrahydrofuran ferulate)

PDB for NP0335248 (Divanillyltetrahydrofuran ferulate)

3D PDB for NP0335248 (Divanillyltetrahydrofuran ferulate)

SMILES for NP0335248 (Divanillyltetrahydrofuran ferulate)

INCHI for NP0335248 (Divanillyltetrahydrofuran ferulate)

Structure for NP0335248 (Divanillyltetrahydrofuran ferulate)

3D Structure for NP0335248 (Divanillyltetrahydrofuran ferulate)