NP-MRD: Showing NP-Card for Mulberrofuran S (NP0337221)

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Record Information

Version

2.0

Created at

2024-09-11 09:53:19 UTC

Updated at

2024-09-11 09:53:19 UTC

NP-MRD ID

NP0337221

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Mulberrofuran S

Description

Based on a literature review very few articles have been published on Mulberrofuran S.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262312252D          

 43 50  0  0  0  0            999 V2000
   -1.3874    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    1.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528    1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1957    2.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    2.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7088   -4.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -4.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340   -3.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -2.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -3.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4841   -4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839   -4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589   -5.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0022    2.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    2.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265    2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481    2.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555    1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    1.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    2.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    2.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024    5.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1444    3.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    3.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637    3.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    4.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217    4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3456    4.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    3.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  2  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 41  1  0  0  0  0
 37 43  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  2  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
M  END


  Mrv2104 05262312252D          

 43 50  0  0  0  0            999 V2000
   -1.3874    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    1.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528    1.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1957    2.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207    2.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7088   -4.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -4.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340   -3.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027   -2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -2.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -3.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4841   -4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839   -4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4589   -5.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0022    2.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    2.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265    2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481    2.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555    1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    1.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    2.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    2.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552    2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0945   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024    5.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1444    3.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    3.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637    3.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    4.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217    4.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3456    4.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3649    3.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  2  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 41  1  0  0  0  0
 37 43  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  2  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0337221

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC12OC3=C(C=CC(O)=C3)C(C1O)C1=C(OC3=C(C(O)=CC(=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=C2)C1=C(O)C=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1/C34H24O9/c1-34-14-22-29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)42-32(20-6-4-17(35)11-23(20)38)30(22)31(33(34)40)21-7-5-19(37)13-27(21)43-34/h2-14,31,33,35-40H,1H3

> <INCHI_KEY>
MINVTMPFZNRNNP-UHFFFAOYNA-N

> <FORMULA>
C34H24O9

> <MOLECULAR_WEIGHT>
576.557

> <EXACT_MASS>
576.142032353

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
60.45013462037481

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(2,4-dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{15,20}]henicosa-2,5(10),6,8,11,15(20),16,18-octaene-9,17,21-triol

> <JCHEM_LOGP>
4.484028827666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.722771431285985

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.244238014556212

> <JCHEM_PKA_STRONGEST_BASIC>
-2.862906209313565

> <JCHEM_POLAR_SURFACE_AREA>
152.98000000000002

> <JCHEM_REFRACTIVITY>
157.33139999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-(2,4-dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{15,20}]henicosa-2,5(10),6,8,11,15(20),16,18-octaene-9,17,21-triol

> <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      -2.590   0.405   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.617   1.945   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.019   2.843   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.099   4.379   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.639   4.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.190  -9.264   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.983  -7.944   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.237  -6.597   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.738  -5.141   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.508  -4.214   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.247  -5.097   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.697  -6.570   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.904  -7.890   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.650  -9.237   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.857 -10.557   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -0.004   5.071   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.343   4.325   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.663   5.118   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.010   4.372   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.037   2.832   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.717   2.039   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.370   2.785   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.050   1.992   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.297   2.738   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.272   4.339   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.711   3.819   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.617   5.261   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.330   5.165   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.077   0.452   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.243  -0.341   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.216  -1.881   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.536  -2.674   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.883  -1.928   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.910  -0.388   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -5.257   0.358   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.124  10.603   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.003   5.969   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -1.232   5.985   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.119   6.723   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.155   8.263   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.161   9.064   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.512   8.325   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.548   6.786   0.000  0.00  0.00           C+0
CONECT    1    2   30   34                                                  
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   26   37                                             
CONECT    5    4                                                            
CONECT    6    7   14                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   32                                                  
CONECT   11   10   12                                                       
CONECT   12    8   11   13                                                  
CONECT   13   12   14                                                       
CONECT   14    6   13   15                                                  
CONECT   15   14                                                            
CONECT   16   17                                                            
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   17   21   23                                                  
CONECT   23   22   24   29                                                  
CONECT   24    2   23   25                                                  
CONECT   25   24   26   38                                                  
CONECT   26    4   25   27                                                  
CONECT   27   26                                                            
CONECT   28   19                                                            
CONECT   29   23   30                                                       
CONECT   30    1   29   31                                                  
CONECT   31   30   32                                                       
CONECT   32   10   31   33                                                  
CONECT   33   32   34                                                       
CONECT   34    1   33   35                                                  
CONECT   35   34                                                            
CONECT   36   41                                                            
CONECT   37    4   43                                                       
CONECT   38   25   39   43                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   36   40   42                                                  
CONECT   42   41   43                                                       
CONECT   43   37   38   42                                                  
MASTER        0    0    0    0    0    0    0    0   43    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₂₄O₉

Average Mass

576.5570 Da

Monoisotopic Mass

576.14203 Da

IUPAC Name

3-(2,4-dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{15,20}]henicosa-2,5(10),6,8,11,15(20),16,18-octaene-9,17,21-triol

Traditional Name

3-(2,4-dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.0^{2,11}.0^{5,10}.0^{15,20}]henicosa-2,5(10),6,8,11,15(20),16,18-octaene-9,17,21-triol

CAS Registry Number

Not Available

SMILES

CC12OC3=C(C=CC(O)=C3)C(C1O)C1=C(OC3=C(C(O)=CC(=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=C2)C1=C(O)C=C(O)C=C1

InChI Identifier

InChI=1/C34H24O9/c1-34-14-22-29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)42-32(20-6-4-17(35)11-23(20)38)30(22)31(33(34)40)21-7-5-19(37)13-27(21)43-34/h2-14,31,33,35-40H,1H3

InChI Key

MINVTMPFZNRNNP-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	4.48	ChemAxon
pKa (Strongest Acidic)	8.24	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	152.98 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	157.33 m³·mol⁻¹	ChemAxon
Polarizability	60.45 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	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

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 Mulberrofuran S (NP0337221)

MOL for NP0337221 (Mulberrofuran S)

3D MOL for NP0337221 (Mulberrofuran S)

3D SDF for NP0337221 (Mulberrofuran S)

3D-SDF for NP0337221 (Mulberrofuran S)

PDB for NP0337221 (Mulberrofuran S)

3D PDB for NP0337221 (Mulberrofuran S)

SMILES for NP0337221 (Mulberrofuran S)

INCHI for NP0337221 (Mulberrofuran S)

Structure for NP0337221 (Mulberrofuran S)

3D Structure for NP0337221 (Mulberrofuran S)