NP-MRD: Showing NP-Card for (-)-Syringaresinol (NP0138551)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-06-29 17:34:45 UTC

Updated at

2022-06-29 17:34:45 UTC

NP-MRD ID

NP0138551

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Syringaresinol

Description

(-)-Syringaresinol is found in Annona montana, Antidesma membranaceum, Artemisia minor, Bambusa emeiensis, Berberis koreana, Brucea javanica, Bulbophyllum vaginatum, Centaurea arenaria, Cinnamomum kotoense, Cinnamomum subavenium, Cocculus orbiculatus, Colocasia antiquorum, Daphne feddei, Daphne giraldii, Diospyros kaki, Ephedra alata, Goniothalamus tapis, Helicteres angustifolia, Hernandia ovigera, Hibiscus taiwanensis, Ipomoea nil, Leitneria floridana, Machilus robusta, Machilus thunbergii, Magnolia coco, Magnolia figo, Magnolia officinalis, Ormosia henryi, Peltostigma guatemalense, Peperomia heyneana, Phellodendron chinense, Picris rhagadioloides, Pittosporum illicioides, Platycarya strobilacea, Premna fulva, Rhaphidophora decursiva, Selaginella doederleinii, Tamarix nilotica, Toddalia asiatica, Tripterygium wilfordii, Wikstroemia indica, Xanthium strumarium, Zanthoxylum avicennae and Zanthoxylum simulans.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292219342D          

 30 33  0  0  1  0            999 V2000
    1.6088    3.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    3.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666    1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    3.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    2.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092    3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -3.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995   -4.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -4.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2175   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  5  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  1  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
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END

     RDKit          3D

 56 59  0  0  0  0  0  0  0  0999 V2000
    4.5352    1.6447    3.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652    1.2580    2.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7960    0.4564    1.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.0449    1.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955   -0.7576    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985   -1.1132    0.6214 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2146   -2.4750    0.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1482   -2.4612    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149   -1.3551   -0.1091 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5228   -0.4805   -0.3215 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0175    0.8554    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.5398    1.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439   -0.4866    0.6165 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8280    0.0128   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5258    1.0247    0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6732    1.6278   -0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3189    2.5716    0.5501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9199    3.5062    1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0740    1.0971   -1.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2117    1.6701   -1.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4081    0.1010   -1.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8197   -0.4011   -3.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1141   -1.4414   -3.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2781   -0.4372   -1.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881   -1.1386   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0071   -0.7731   -0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8132   -1.1570   -1.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2001   -1.9826   -2.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456    0.0293    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.4046    0.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6847    2.2792    3.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1404    2.3011    4.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1728    0.7788    3.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9111    0.3796    2.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.9051    1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -2.0794    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6342   -3.4191    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -1.7927   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923   -0.5047   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233    1.3759   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741    1.4054    0.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0639   -1.0791    1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2126    1.4340    1.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3271    3.9566    2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2034    4.4343    0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9097    3.1898    1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5955    1.3848   -2.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6007   -1.5835   -4.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2095   -2.3969   -3.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683   -1.1718   -3.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7633   -1.2183   -1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482   -1.7619   -1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582   -1.4822   -3.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -1.8764   -3.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0878   -3.0202   -2.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    0.9874    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  2  0
 29 30  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 29  3  1  0
 10  6  1  0
 24 14  1  0
 13  9  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
 25 52  1  0
 28 53  1  0
 28 54  1  0
 28 55  1  0
 30 56  1  0
  6 35  1  1
  8 36  1  0
  8 37  1  0
  9 38  1  6
 10 39  1  6
 11 40  1  0
 11 41  1  0
 13 42  1  1
 15 43  1  0
 18 44  1  0
 18 45  1  0
 18 46  1  0
 20 47  1  0
 23 48  1  0
 23 49  1  0
 23 50  1  0
 24 51  1  0
M  END


  Mrv1652306292219342D          

 30 33  0  0  1  0            999 V2000
    1.6088    3.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    3.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666    1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    3.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    2.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092    3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -3.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995   -4.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -4.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626   -2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2175   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12  5  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  1  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
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0138551

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC(OC)=C1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2C1=CC(OC)=C(O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1

> <INCHI_KEY>
KOWMJRJXZMEZLD-WRMVBYCNSA-N

> <FORMULA>
C22H26O8

> <MOLECULAR_WEIGHT>
418.442

> <EXACT_MASS>
418.162767797

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
43.995091121906285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
1.9624170159999994

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.60402888358133

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.001968892253409

> <JCHEM_PKA_STRONGEST_BASIC>
-3.741418411118898

> <JCHEM_POLAR_SURFACE_AREA>
95.84000000000002

> <JCHEM_REFRACTIVITY>
108.0266

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.79e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(-)-syringaresinol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0       3.003   7.453   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.479   5.988   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.449   4.844   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.924   3.379   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.894   2.235   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.388   2.555   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.088   4.019   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.942   5.164   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.466   6.629   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -1.595   4.340   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.071   5.804   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.834   0.294   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.299   0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.204  -0.476   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.465  -0.476   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.775  -3.186   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.281  -3.507   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.757  -4.971   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.727  -6.116   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.220  -5.795   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.744  -4.331   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.190  -6.940   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.666  -8.405   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.203  -7.580   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.264  -5.291   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.739  -6.756   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11                                                       
CONECT   11   10                                                            
CONECT   12    5   13   19                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   13   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   12                                                       
CONECT   20   16   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   29                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24   20                                                       
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28   23                                                            
CONECT   29   22   30                                                       
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₆O₈

Average Mass

418.4420 Da

Monoisotopic Mass

418.16277 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

6216-81-5

SMILES

COC1=CC(=CC(OC)=C1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2C1=CC(OC)=C(O)C(OC)=C1

InChI Identifier

InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1

InChI Key

KOWMJRJXZMEZLD-WRMVBYCNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Annona montana	LOTUS Database	35616633
Antidesma membranaceum	LOTUS Database	35616633
Artemisia minor	LOTUS Database	35616633
Bambusa emeiensis	LOTUS Database	35616633
Berberis koreana	LOTUS Database	35616633
Brucea javanica	LOTUS Database	35616633
Bulbophyllum vaginatum	LOTUS Database	35616633
Centaurea arenaria	LOTUS Database	35616633
Cinnamomum kotoense	LOTUS Database	35616633
Cinnamomum subavenium	LOTUS Database	35616633
Cocculus orbiculatus	LOTUS Database	35616633
Colocasia antiquorum	LOTUS Database	35616633
Daphne feddei	LOTUS Database	35616633
Daphne giraldii	LOTUS Database	35616633
Diospyros kaki	LOTUS Database	35616633
Ephedra alata	LOTUS Database	35616633
Goniothalamus tapis	LOTUS Database	35616633
Helicteres angustifolia	LOTUS Database	35616633
Hernandia ovigera	LOTUS Database	35616633
Hibiscus taiwanensis	LOTUS Database	35616633
Ipomoea nil	LOTUS Database	35616633
Leitneria floridana	LOTUS Database	35616633
Machilus robusta	LOTUS Database	35616633
Machilus thunbergii	LOTUS Database	35616633
Magnolia coco	LOTUS Database	35616633
Magnolia figo	LOTUS Database	35616633
Magnolia officinalis	LOTUS Database	35616633
Ormosia henryi	LOTUS Database	35616633
Peltostigma guatemalense	LOTUS Database	35616633
Peperomia heyneana	LOTUS Database	35616633
Phellodendron chinense	LOTUS Database	35616633
Picris rhagadioloides	LOTUS Database	35616633
Pittosporum illicioides	LOTUS Database	35616633
Platycarya strobilacea	LOTUS Database	35616633
Premna fulva	LOTUS Database	35616633
Rhaphidophora decursiva	LOTUS Database	35616633
Selaginella doederleinii	LOTUS Database	35616633
Tamarix nilotica	LOTUS Database	35616633
Toddalia asiatica	LOTUS Database	35616633
Tripterygium wilfordii	LOTUS Database	35616633
Wikstroemia indica	LOTUS Database	35616633
Xanthium strumarium	LOTUS Database	35616633
Zanthoxylum avicennae	LOTUS Database	35616633
Zanthoxylum simulans	LOTUS Database	35616633

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

External Links

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Syringaresinol (NP0138551)

MOL for NP0138551 ((-)-Syringaresinol)

3D MOL for NP0138551 ((-)-Syringaresinol)

3D SDF for NP0138551 ((-)-Syringaresinol)

3D-SDF for NP0138551 ((-)-Syringaresinol)

PDB for NP0138551 ((-)-Syringaresinol)

3D PDB for NP0138551 ((-)-Syringaresinol)

SMILES for NP0138551 ((-)-Syringaresinol)

INCHI for NP0138551 ((-)-Syringaresinol)

Structure for NP0138551 ((-)-Syringaresinol)

3D Structure for NP0138551 ((-)-Syringaresinol)