NP-MRD: Showing NP-Card for (E)-3,4,3',5'-tetramethoxystilbene (NP0043342)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2021-06-21 00:46:36 UTC

Updated at

2021-06-30 00:18:58 UTC

NP-MRD ID

NP0043342

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(E)-3,4,3',5'-tetramethoxystilbene

Provided By

JEOL Database JEOL Logo

Description

83088-26-0, Also known as M5A CPD, belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. (E)-3,4,3',5'-tetramethoxystilbene is found in Eugenia rigida and Schoenus nigricans. It was first documented in 2013 (Zaki, M. A., et al.). Based on a literature review very few articles have been published on 83088-26-0.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212102463D          

 42 43  0  0  0  0            999 V2000
    1.5665    1.8378    5.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.1352    4.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.9377    3.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    0.2322    2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.0378    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8027    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.6498   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -1.4012   -1.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -2.7671   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -3.4504   -3.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -2.7871   -4.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -3.5906   -5.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489   -3.3684   -6.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4087   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -0.7973   -5.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.6206   -5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.7345   -3.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    0.3880    2.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.0951    3.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    1.5705    3.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418    1.3306    3.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.3688    3.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    2.8580    5.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    1.2956    6.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    1.9066    5.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.1151    2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -1.4955    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.0803   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -3.3171   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0727   -4.5129   -3.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.6372   -7.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -4.3138   -6.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -3.0709   -5.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    1.0874   -5.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.9587   -4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    0.9351   -6.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    0.3262   -2.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496    0.1641    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163    1.8139    2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657    1.7739    3.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    0.2575    2.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    1.9199    4.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 22 19  1  0  0  0  0
 11 14  2  0  0  0  0
 19 18  2  0  0  0  0
 14 17  1  0  0  0  0
 17  8  2  0  0  0  0
  3 22  2  0  0  0  0
  3  2  1  0  0  0  0
  5  6  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  1  0  0  0  0
 19 20  1  0  0  0  0
  7  6  2  0  0  0  0
 20 21  1  0  0  0  0
  5  4  2  0  0  0  0
 11 12  1  0  0  0  0
  4  3  1  0  0  0  0
 12 13  1  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
  5 18  1  0  0  0  0
 15 16  1  0  0  0  0
 22 42  1  0  0  0  0
  4 26  1  0  0  0  0
 18 38  1  0  0  0  0
  7 28  1  0  0  0  0
  6 27  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 17 37  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.5665    1.8378    5.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.1352    4.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.9377    3.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    0.2322    2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.0378    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8027    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.6498   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -1.4012   -1.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -2.7671   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -3.4504   -3.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -2.7871   -4.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -3.5906   -5.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489   -3.3684   -6.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4087   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -0.7973   -5.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.6206   -5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.7345   -3.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    0.3880    2.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.0951    3.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    1.5705    3.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418    1.3306    3.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.3688    3.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    2.8580    5.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    1.2956    6.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    1.9066    5.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.1151    2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -1.4955    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.0803   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -3.3171   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0727   -4.5129   -3.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.6372   -7.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -4.3138   -6.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -3.0709   -5.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    1.0874   -5.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.9587   -4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    0.9351   -6.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    0.3262   -2.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496    0.1641    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163    1.8139    2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657    1.7739    3.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    0.2575    2.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    1.9199    4.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0
 10 11  1  0
 22 19  1  0
 11 14  2  0
 19 18  2  0
 14 17  1  0
 17  8  2  0
  3 22  2  0
  3  2  1  0
  5  6  1  0
  2  1  1  0
  8  7  1  0
 19 20  1  0
  7  6  2  0
 20 21  1  0
  5  4  2  0
 11 12  1  0
  4  3  1  0
 12 13  1  0
  8  9  1  0
 14 15  1  0
  5 18  1  0
 15 16  1  0
 22 42  1  0
  4 26  1  0
 18 38  1  0
  7 28  1  0
  6 27  1  0
  9 29  1  0
 10 30  1  0
 17 37  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
 13 31  1  0
 13 32  1  0
 13 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END


  Mrv1652306212102463D          

 42 43  0  0  0  0            999 V2000
    1.5665    1.8378    5.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.1352    4.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.9377    3.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    0.2322    2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.0378    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8027    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.6498   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -1.4012   -1.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -2.7671   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -3.4504   -3.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -2.7871   -4.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -3.5906   -5.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489   -3.3684   -6.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4087   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -0.7973   -5.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.6206   -5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.7345   -3.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    0.3880    2.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.0951    3.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    1.5705    3.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418    1.3306    3.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.3688    3.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    2.8580    5.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    1.2956    6.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    1.9066    5.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.1151    2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -1.4955    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.0803   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -3.3171   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0727   -4.5129   -3.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.6372   -7.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -4.3138   -6.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -3.0709   -5.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    1.0874   -5.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.9587   -4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    0.9351   -6.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    0.3262   -2.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496    0.1641    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163    1.8139    2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657    1.7739    3.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    0.2575    2.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    1.9199    4.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 22 19  1  0  0  0  0
 11 14  2  0  0  0  0
 19 18  2  0  0  0  0
 14 17  1  0  0  0  0
 17  8  2  0  0  0  0
  3 22  2  0  0  0  0
  3  2  1  0  0  0  0
  5  6  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  1  0  0  0  0
 19 20  1  0  0  0  0
  7  6  2  0  0  0  0
 20 21  1  0  0  0  0
  5  4  2  0  0  0  0
 11 12  1  0  0  0  0
  4  3  1  0  0  0  0
 12 13  1  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
  5 18  1  0  0  0  0
 15 16  1  0  0  0  0
 22 42  1  0  0  0  0
  4 26  1  0  0  0  0
 18 38  1  0  0  0  0
  7 28  1  0  0  0  0
  6 27  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 17 37  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043342

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(=C(\[H])C1=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+

> <INCHI_KEY>
PTVAOGIYBMTHSN-AATRIKPKSA-N

> <FORMULA>
C18H20O4

> <MOLECULAR_WEIGHT>
300.354

> <EXACT_MASS>
300.136159124

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
34.34028403239231

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

> <ALOGPS_LOGP>
4.21

> <JCHEM_LOGP>
3.6824017886666667

> <ALOGPS_LOGS>
-5.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.263142791878034

> <JCHEM_POLAR_SURFACE_AREA>
36.92

> <JCHEM_REFRACTIVITY>
87.36560000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

> <JCHEM_VEBER_RULE>
1

$$$$

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.5665    1.8378    5.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.1352    4.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.9377    3.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    0.2322    2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.0378    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8027    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.6498   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -1.4012   -1.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -2.7671   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -3.4504   -3.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -2.7871   -4.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -3.5906   -5.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489   -3.3684   -6.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4087   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -0.7973   -5.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.6206   -5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.7345   -3.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    0.3880    2.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.0951    3.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    1.5705    3.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418    1.3306    3.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.3688    3.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    2.8580    5.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    1.2956    6.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    1.9066    5.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.1151    2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -1.4955    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.0803   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -3.3171   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0727   -4.5129   -3.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.6372   -7.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -4.3138   -6.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -3.0709   -5.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    1.0874   -5.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.9587   -4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    0.9351   -6.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    0.3262   -2.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496    0.1641    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163    1.8139    2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657    1.7739    3.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    0.2575    2.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    1.9199    4.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0
 10 11  1  0
 22 19  1  0
 11 14  2  0
 19 18  2  0
 14 17  1  0
 17  8  2  0
  3 22  2  0
  3  2  1  0
  5  6  1  0
  2  1  1  0
  8  7  1  0
 19 20  1  0
  7  6  2  0
 20 21  1  0
  5  4  2  0
 11 12  1  0
  4  3  1  0
 12 13  1  0
  8  9  1  0
 14 15  1  0
  5 18  1  0
 15 16  1  0
 22 42  1  0
  4 26  1  0
 18 38  1  0
  7 28  1  0
  6 27  1  0
  9 29  1  0
 10 30  1  0
 17 37  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
 13 31  1  0
 13 32  1  0
 13 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0       1.567   1.838   5.439  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.613   1.135   4.203  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.422   0.938   3.559  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.519   0.232   2.357  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.619  -0.038   1.587  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.548  -0.803   0.333  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.428  -0.650  -0.576  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.486  -1.401  -1.838  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.201  -2.767  -1.898  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.300  -3.450  -3.110  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.707  -2.787  -4.272  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.745  -3.591  -5.384  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.849  -3.368  -6.256  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.978  -1.409  -4.235  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.307  -0.797  -5.417  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.405   0.621  -5.426  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.884  -0.735  -3.008  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.872   0.388   2.051  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.979   1.095   3.251  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.139   1.571   3.801  0.00  0.00           O+0
HETATM   21  C   UNK     0      -4.342   1.331   3.080  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.829   1.369   3.999  0.00  0.00           C+0
HETATM   23  H   UNK     0       1.194   2.858   5.299  0.00  0.00           H+0
HETATM   24  H   UNK     0       0.969   1.296   6.179  0.00  0.00           H+0
HETATM   25  H   UNK     0       2.589   1.907   5.823  0.00  0.00           H+0
HETATM   26  H   UNK     0       1.498  -0.115   2.035  0.00  0.00           H+0
HETATM   27  H   UNK     0      -1.368  -1.496   0.158  0.00  0.00           H+0
HETATM   28  H   UNK     0       1.220   0.080  -0.427  0.00  0.00           H+0
HETATM   29  H   UNK     0      -0.090  -3.317  -1.007  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.073  -4.513  -3.150  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.585  -2.637  -7.025  0.00  0.00           H+0
HETATM   32  H   UNK     0       2.063  -4.314  -6.764  0.00  0.00           H+0
HETATM   33  H   UNK     0       2.757  -3.071  -5.720  0.00  0.00           H+0
HETATM   34  H   UNK     0       0.471   1.087  -5.098  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.253   0.959  -4.822  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.588   0.935  -6.458  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.104   0.326  -2.938  0.00  0.00           H+0
HETATM   38  H   UNK     0      -2.750   0.164   1.454  0.00  0.00           H+0
HETATM   39  H   UNK     0      -4.316   1.814   2.098  0.00  0.00           H+0
HETATM   40  H   UNK     0      -5.166   1.774   3.648  0.00  0.00           H+0
HETATM   41  H   UNK     0      -4.540   0.258   2.989  0.00  0.00           H+0
HETATM   42  H   UNK     0      -0.947   1.920   4.926  0.00  0.00           H+0
CONECT    1    2   23   24   25                                             
CONECT    2    3    1                                                       
CONECT    3   22    2    4                                                  
CONECT    4    5    3   26                                                  
CONECT    5    6    4   18                                                  
CONECT    6    5    7   27                                                  
CONECT    7    8    6   28                                                  
CONECT    8   17    7    9                                                  
CONECT    9   10    8   29                                                  
CONECT   10    9   11   30                                                  
CONECT   11   10   14   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   31   32   33                                             
CONECT   14   11   17   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   34   35   36                                             
CONECT   17   14    8   37                                                  
CONECT   18   19    5   38                                                  
CONECT   19   22   18   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   39   40   41                                             
CONECT   22   19    3   42                                                  
CONECT   23    1                                                            
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    4                                                            
CONECT   27    6                                                            
CONECT   28    7                                                            
CONECT   29    9                                                            
CONECT   30   10                                                            
CONECT   31   13                                                            
CONECT   32   13                                                            
CONECT   33   13                                                            
CONECT   34   16                                                            
CONECT   35   16                                                            
CONECT   36   16                                                            
CONECT   37   17                                                            
CONECT   38   18                                                            
CONECT   39   21                                                            
CONECT   40   21                                                            
CONECT   41   21                                                            
CONECT   42   22                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

RDKit          3D

42 43  0  0  0  0  0  0  0  0999 V2000
    1.5665    1.8378    5.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.1352    4.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.9377    3.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5187    0.2322    2.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.0378    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8027    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -0.6498   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -1.4012   -1.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -2.7671   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998   -3.4504   -3.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -2.7871   -4.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451   -3.5906   -5.3837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489   -3.3684   -6.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778   -1.4087   -4.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -0.7973   -5.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    0.6206   -5.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.7345   -3.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8716    0.3880    2.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792    1.0951    3.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    1.5705    3.8011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418    1.3306    3.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    1.3688    3.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943    2.8580    5.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687    1.2956    6.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    1.9066    5.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.1151    2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -1.4955    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2203    0.0803   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -3.3171   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0727   -4.5129   -3.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5852   -2.6372   -7.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -4.3138   -6.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -3.0709   -5.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4706    1.0874   -5.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.9587   -4.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    0.9351   -6.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    0.3262   -2.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496    0.1641    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163    1.8139    2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1657    1.7739    3.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    0.2575    2.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473    1.9199    4.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0
 10 11  1  0
 22 19  1  0
 11 14  2  0
 19 18  2  0
 14 17  1  0
 17  8  2  0
  3 22  2  0
  3  2  1  0
  5  6  1  0
  2  1  1  0
  8  7  1  0
 19 20  1  0
  7  6  2  0
 20 21  1  0
  5  4  2  0
 11 12  1  0
  4  3  1  0
 12 13  1  0
  8  9  1  0
 14 15  1  0
  5 18  1  0
 15 16  1  0
 22 42  1  0
  4 26  1  0
 18 38  1  0
  7 28  1  0
  6 27  1  0
  9 29  1  0
 10 30  1  0
 17 37  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
 13 31  1  0
 13 32  1  0
 13 33  1  0
 16 34  1  0
 16 35  1  0
 16 36  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Value	Source
(e)-3,4,3',5'-Tetramethoxystilbene	MeSH
3,3',4,5'-Tetramethoxy-trans-stilbene	MeSH
3,3',4,5'-Tetramethoxystilbene	MeSH
m5a CPD	MeSH

Chemical Formula

C₁₈H₂₀O₄

Average Mass

300.3540 Da

Monoisotopic Mass

300.13616 Da

IUPAC Name

1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

Traditional Name

1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

CAS Registry Number

Not Available

SMILES

[H]\C(=C(\[H])C1=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]

InChI Identifier

InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+

InChI Key

PTVAOGIYBMTHSN-AATRIKPKSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, chcl3, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, chcl3, 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
Eugenia rigida	JEOL database	Zaki, M. A., et al, J. Nat. Prod. 76, 679 (2013)
Schoenus nigricans	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Not Available

Direct Parent

Stilbenes

Alternative Parents

Substituents

Stilbene
Dimethoxybenzene
O-dimethoxybenzene
M-dimethoxybenzene
Anisole
Phenol ether
Phenoxy compound
Styrene
Methoxybenzene
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Ether
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	4.21	ALOGPS
logP	3.68	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	36.92 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	87.37 m³·mol⁻¹	ChemAxon
Polarizability	34.34 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

Not Available

Chemspider ID

4533850

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5387294

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zaki, M. A., et al. (2013). Zaki, M. A., et al, J. Nat. Prod. 76, 679 (2013). J. Nat. Prod..

Showing NP-Card for (E)-3,4,3',5'-tetramethoxystilbene (NP0043342)

MOL for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

3D MOL for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

3D SDF for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

3D-SDF for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

PDB for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

3D PDB for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

SMILES for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

INCHI for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

Structure for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)

3D Structure for NP0043342 ((E)-3,4,3',5'-tetramethoxystilbene)