NP-MRD: Showing NP-Card for (2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate (NP0220034)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 21:13:48 UTC

Updated at

2022-09-05 21:13:48 UTC

NP-MRD ID

NP0220034

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate

Description

6-[(Acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. (2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate is found in Polydora poskeana. 6-[(Acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241517052D          

 35 37  0  0  0  0            999 V2000
    0.9447   -1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820   -0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295   -0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -1.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947   -2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095   -2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065   -3.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332   -4.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7450   -4.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5717   -5.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302   -4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861   -0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   -0.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079   -1.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4470   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198    1.6059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006    1.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852    1.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733    2.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    1.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453   -0.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376    1.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258    2.3627    0.0000 O   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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  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
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv1533004241517052D          

 35 37  0  0  0  0            999 V2000
    0.9447   -1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820   -0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295   -0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -1.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947   -2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095   -2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065   -3.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332   -4.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7450   -4.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5717   -5.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302   -4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861   -0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   -0.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079   -1.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4470   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198    1.6059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006    1.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852    1.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733    2.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    1.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453   -0.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376    1.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258    2.3627    0.0000 O   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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  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
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220034

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(OC(=O)C=C(C)COC(C)=O)C2=C(COC(C)=O)C(=O)O\C2=C\C2(C)OC1(O)CC2O

> <INCHI_IDENTIFIER>
InChI=1S/C24H30O11/c1-12(10-31-14(3)25)6-20(28)33-17-7-13(2)24(30)9-19(27)23(5,35-24)8-18-21(17)16(22(29)34-18)11-32-15(4)26/h6,8,13,17,19,27,30H,7,9-11H2,1-5H3/b12-6?,18-8+

> <INCHI_KEY>
WJFURHHDGKLPML-GRWBNGRDSA-N

> <FORMULA>
C24H30O11

> <MOLECULAR_WEIGHT>
494.493

> <EXACT_MASS>
494.178811786

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
49.35988760352795

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
0.6404655133333337

> <ALOGPS_LOGS>
-3.30

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.879519359696495

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.738728118986158

> <JCHEM_PKA_STRONGEST_BASIC>
-3.341449111796482

> <JCHEM_POLAR_SURFACE_AREA>
154.89

> <JCHEM_REFRACTIVITY>
119.85959999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       1.763  -1.974   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.393  -0.568   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.924  -0.733   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.260   0.034   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.402  -0.999   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.078  -2.504   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.612  -2.977   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.220  -3.537   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.897  -5.043   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.431  -5.515   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.039  -6.076   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.715  -7.582   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.857  -8.615   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.534 -10.120   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.323  -8.142   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.889   1.440   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.420   1.275   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.187  -0.060   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.727  -0.063   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.494  -1.399   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.721  -2.731   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      12.034  -1.402   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.050   2.681   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.557   2.998   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       6.908   3.714   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.572   2.947   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.430   3.980   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.899   4.144   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.582   5.651   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.535   2.099   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       1.251   0.465   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.085  -0.302   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.934   1.972   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.564   3.377   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.421   4.410   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   16                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    4   17   26                                                  
CONECT   17   16   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   17   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   16   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30   34                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30    2   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   28   35                                                  
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
6-[(Acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0,]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoic acid	Generator
6-[(Acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoic acid	Generator

Chemical Formula

C₂₄H₃₀O₁₁

Average Mass

494.4930 Da

Monoisotopic Mass

494.17881 Da

IUPAC Name

6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate

Traditional Name

6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC1CC(OC(=O)C=C(C)COC(C)=O)C2=C(COC(C)=O)C(=O)O\C2=C\C2(C)OC1(O)CC2O

InChI Identifier

InChI=1S/C24H30O11/c1-12(10-31-14(3)25)6-20(28)33-17-7-13(2)24(30)9-19(27)23(5,35-24)8-18-21(17)16(22(29)34-18)11-32-15(4)26/h6,8,13,17,19,27,30H,7,9-11H2,1-5H3/b12-6?,18-8+

InChI Key

WJFURHHDGKLPML-GRWBNGRDSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Vernonia poskeana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Monosaccharide
2-furanone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Enol ester
Dihydrofuran
Secondary alcohol
Lactone
Hemiacetal
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	0.93	ALOGPS
logP	0.64	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	11.74	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	154.89 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	119.86 m³·mol⁻¹	ChemAxon
Polarizability	49.36 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate (NP0220034)

MOL for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

3D MOL for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

3D SDF for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

3D-SDF for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

PDB for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

3D PDB for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

SMILES for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

INCHI for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

Structure for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)

3D Structure for NP0220034 ((2e)-6-[(acetyloxy)methyl]-11,13-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 4-(acetyloxy)-3-methylbut-2-enoate)