NP-MRD: Showing NP-Card for (+)-Eudesmin (NP0050436)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-27 21:39:16 UTC

Updated at

2022-04-27 21:39:16 UTC

NP-MRD ID

NP0050436

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Eudesmin

Description

(1S,3aR,4S,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan, also known as pinoresinol dimethyl ether, belongs to the class of organic compounds known as furanoid lignans. (+)-Eudesmin is found in Acorus calamus, Aglaia elaeagnoidea, Aglaia leptantha , Aptosimum spinescens, Araucaria angustifolia, Aristolochia elegans , Aristolochia flos-avis, Aristolochia pubescens, Aristolochia tomentosa, Bupleurum salicifolium, Clerodendron brachyanthum, Daphne oleoides, Daphne oleoides spp. , Enkleia siamensis, Eucalyptus hemiphloia, Evodia micrococca var. micrococca, Fagara heitzii, Haplophyllum acutifolium , Haplophyllum perforatum, Haplophyllum spp., Humbertia madagascariensis, Laurelia novae-zelandiae, Licaria armeniaca, Lindera praecox, Liriodendron tulipifera , Litsea gracilipes, Machilus wangchiana, Magnolia biondii , Magnolia coco, Magnolia denudata , Magnolia fargesii , Magnolia kobus, Magnolia kobus var. borealis , Magnolia praecocissima , Magnolia pterocarpa, Magnolia soulangeana, Magnolia stellata, Melicope hayesii, Metrodorea flavida, Metrodorea nigra, Orophea enneandra, Ouratea semiserrata, Pandanus odoratissimus , Pandanus odorifer, Parabenzoin praecox, Persea kurzii, Phaylopsis falcisepala, Polygala gazensis, Raulinoa echinata, Rollinia exalbida, Rollinia mucosa , Rudbeckia scabrifolia, Samadera bidwillii, Stellera chamaejasme , Talauma hodgsonii , Virola michelii , Zanthoxylum acanthopodium , Zanthoxylum alatum , Zanthoxylum culantrillo, Zanthoxylum fagara, Zanthoxylum oxyphyllum and Zanthoxylum simulans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units (1S,3aR,4S,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309272007382D          

 30 33  0  0  1  0            999 V2000
   12.2866  -12.9200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2866  -13.7450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0711  -14.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5561  -13.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711  -12.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020  -12.6651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0170  -13.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866  -12.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866  -14.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3239  -14.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1338  -14.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3889  -15.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369  -16.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0268  -16.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7718  -15.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0886  -17.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1939  -15.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4533  -16.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2492  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4391  -11.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1839  -10.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7359  -10.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5459  -10.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8010  -11.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4839   -9.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789  -10.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1193   -9.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5367  -17.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6768   -9.3728    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  6  0  0  0
  2 10  1  6  0  0  0
  3 11  1  6  0  0  0
 11 12  2  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
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END


  Mrv1652309272007382D          

 30 33  0  0  1  0            999 V2000
   12.2866  -12.9200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2866  -13.7450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0711  -14.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5561  -13.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711  -12.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020  -12.6651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0170  -13.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866  -12.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2866  -14.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3239  -14.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1338  -14.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3889  -15.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369  -16.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0268  -16.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7718  -15.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0886  -17.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1939  -15.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4533  -16.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2492  -11.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4391  -11.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1839  -10.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7359  -10.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5459  -10.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8010  -11.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4839   -9.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789  -10.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1193   -9.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5367  -17.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6768   -9.3728    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  6  0  0  0
  2 10  1  6  0  0  0
  3 11  1  6  0  0  0
 11 12  2  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
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050436

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CO[C@H](C3=CC(OC)=C(OC)C=C3)[C@@]1([H])CO[C@@H]2C1=CC(OC)=C(OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1

> <INCHI_KEY>
PEUUVVGQIVMSAW-RZTYQLBFSA-N

> <FORMULA>
C22H26O6

> <MOLECULAR_WEIGHT>
386.444

> <EXACT_MASS>
386.172938557

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
41.95646606782708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3aR,4S,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan

> <ALOGPS_LOGP>
2.97

> <JCHEM_LOGP>
2.569547659333333

> <ALOGPS_LOGS>
-4.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7383009447365905

> <JCHEM_POLAR_SURFACE_AREA>
55.38000000000001

> <JCHEM_REFRACTIVITY>
104.06479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.46e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
eudesmin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0      22.935 -24.117   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.935 -25.657   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.399 -26.133   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      25.305 -24.887   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      24.399 -23.642   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.470 -23.642   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      20.565 -24.887   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      21.470 -26.133   0.000  0.00  0.00           C+0
HETATM    9  H   UNK     0      22.935 -22.577   0.000  0.00  0.00           H+0
HETATM   10  H   UNK     0      22.935 -27.197   0.000  0.00  0.00           H+0
HETATM   11  C   UNK     0      24.871 -27.585   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.383 -27.906   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      26.859 -29.371   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      25.829 -30.515   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      24.317 -30.194   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      23.841 -28.729   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      26.299 -31.960   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      28.362 -29.690   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      28.846 -31.179   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.999 -22.190   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.486 -21.869   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.010 -20.405   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      20.040 -19.260   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.552 -19.581   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      22.029 -21.045   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      19.570 -17.815   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      17.507 -20.086   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      17.023 -18.597   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      25.269 -33.105   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.063 -17.496   0.000  0.00  0.00           C+0
CONECT    1    2    5    6    9                                             
CONECT    2    1    3    8   10                                             
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    1                                                       
CONECT    6    1    7   20                                                  
CONECT    7    6    8                                                       
CONECT    8    7    2                                                       
CONECT    9    1                                                            
CONECT   10    2                                                            
CONECT   11    3   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17   14   29                                                       
CONECT   18   13   19                                                       
CONECT   19   18                                                            
CONECT   20    6   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24   20                                                       
CONECT   26   23   30                                                       
CONECT   27   22   28                                                       
CONECT   28   27                                                            
CONECT   29   17                                                            
CONECT   30   26                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

View in JSmol

Synonyms

Value	Source
Pinoresinol dimethyl ether	Kegg
Eudesmin	MeSH
(+)-Eudesmin	PhytoBank
(+)-Pinoresinol dimethyl ether	PhytoBank
O,O-Dimethylpinoresinol	PhytoBank
Dimethyl pinoresinol	PhytoBank

Chemical Formula

C₂₂H₂₆O₆

Average Mass

386.4440 Da

Monoisotopic Mass

386.17294 Da

IUPAC Name

(1S,3aR,4S,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan

Traditional Name

eudesmin

CAS Registry Number

Not Available

SMILES

[H][C@]12CO[C@H](C3=CC(OC)=C(OC)C=C3)[C@@]1([H])CO[C@@H]2C1=CC(OC)=C(OC)C=C1

InChI Identifier

InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1

InChI Key

PEUUVVGQIVMSAW-RZTYQLBFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Acorus calamus	LOTUS Database	35616633
Aglaia elaeagnoidea	LOTUS Database	35616633
Aglaia leptantha	Plant	KNApSAcK
Aptosimum spinescens	Plant	KNApSAcK
Araucaria angustifolia	Plant	KNApSAcK
Aristolochia elegans	Plant	KNApSAcK
Aristolochia flos-avis	Plant	KNApSAcK
Aristolochia pubescens	Plant	KNApSAcK
Aristolochia tomentosa	LOTUS Database	35616633
Bupleurum salicifolium	Plant	KNApSAcK
Clerodendron brachyanthum	Plant	KNApSAcK
Daphne oleoides	LOTUS Database	35616633
Daphne oleoides spp.	Plant	KNApSAcK
Enkleia siamensis	Plant	KNApSAcK
Eucalyptus hemiphloia	Plant	KNApSAcK
Evodia micrococca var. micrococca	Plant	KNApSAcK
Fagara heitzii	Plant	KNApSAcK
Haplophyllum acutifolium	Plant	KNApSAcK
Haplophyllum perforatum	Plant	KNApSAcK
Haplophyllum spp.	Plant	KNApSAcK
Humbertia madagascariensis	Plant	KNApSAcK
Laurelia novae-zelandiae	LOTUS Database	35616633
Licaria armeniaca	LOTUS Database	35616633
Lindera praecox	Plant	KNApSAcK
Liriodendron tulipifera	Plant	KNApSAcK
Litsea gracilipes	Plant	KNApSAcK
Machilus wangchiana	Plant	KNApSAcK
Magnolia biondii	Plant	KNApSAcK
Magnolia coco	Plant	KNApSAcK
Magnolia denudata	Plant	KNApSAcK
Magnolia fargesii	Plant	KNApSAcK
Magnolia kobus	LOTUS Database	35616633
Magnolia kobus var. borealis	Plant	KNApSAcK
Magnolia praecocissima	Plant	KNApSAcK
Magnolia pterocarpa	Plant	KNApSAcK
Magnolia soulangeana	LOTUS Database	35616633
Magnolia stellata	Plant	KNApSAcK
Melicope hayesii	Plant	KNApSAcK
Metrodorea flavida	LOTUS Database	35616633
Metrodorea nigra	Plant	KNApSAcK
Orophea enneandra	Plant	KNApSAcK
Ouratea semiserrata	Plant	KNApSAcK
Pandanus odoratissimus	Plant	KNApSAcK
Pandanus odorifer	LOTUS Database	35616633
Parabenzoin praecox	Plant	KNApSAcK
Persea kurzii	Plant	KNApSAcK
Phaylopsis falcisepala	Plant	KNApSAcK
Polygala gazensis	Plant	KNApSAcK
Raulinoa echinata	Plant	KNApSAcK
Rollinia exalbida	Plant	KNApSAcK
Rollinia mucosa	Plant	KNApSAcK
Rudbeckia scabrifolia	LOTUS Database	35616633
Samadera bidwillii	LOTUS Database	35616633
Stellera chamaejasme	Plant	KNApSAcK
Talauma hodgsonii	Plant	KNApSAcK
Virola michelii	Plant	KNApSAcK
Zanthoxylum acanthopodium	Plant	KNApSAcK
Zanthoxylum alatum	Plant	KNApSAcK
Zanthoxylum culantrillo	Plant	KNApSAcK
Zanthoxylum fagara	Plant	KNApSAcK
Zanthoxylum oxyphyllum	Plant	KNApSAcK
Zanthoxylum simulans	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Not Available

Direct Parent

Furanoid lignans

Alternative Parents

Substituents

Furanoid lignan
Furofuran lignan skeleton
O-dimethoxybenzene
Dimethoxybenzene
Phenoxy compound
Anisole
Methoxybenzene
Furofuran
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Tetrahydrofuran
Organoheterocyclic compound
Ether
Dialkyl ether
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

lignan (CHEBI:23 )
Lignans (C10561 )

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	2.97	ALOGPS
logP	2.57	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.38 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	104.06 m³·mol⁻¹	ChemAxon
Polarizability	41.96 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00000640

Chemspider ID

Not Available

KEGG Compound ID

C10561

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

Not Available

Showing NP-Card for (+)-Eudesmin (NP0050436)

MOL for NP0050436 ((+)-Eudesmin)

3D MOL for NP0050436 ((+)-Eudesmin)

3D SDF for NP0050436 ((+)-Eudesmin)

3D-SDF for NP0050436 ((+)-Eudesmin)

PDB for NP0050436 ((+)-Eudesmin)

3D PDB for NP0050436 ((+)-Eudesmin)

SMILES for NP0050436 ((+)-Eudesmin)

INCHI for NP0050436 ((+)-Eudesmin)

Structure for NP0050436 ((+)-Eudesmin)

3D Structure for NP0050436 ((+)-Eudesmin)