NP-MRD: Showing NP-Card for (+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one (NP0332322)

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Record Information

Version

2.0

Created at

2024-01-04 04:45:01 UTC

Updated at

2024-09-03 04:18:48 UTC

NP-MRD ID

NP0332322

Natural Product DOI

https://doi.org/10.57994/1524

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one

Description

(+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]Non-1’-en-4’-one belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. (+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one was first documented in 2024 (PMID: 38395785). Based on a literature review very few articles have been published on (+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]Non-1’-en-4’-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01042404452D          

 31 33  0  0  1  0            999 V2000
    4.7785   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9535   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538   -0.3070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3702   -1.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    0.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    0.2074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1655   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    1.0324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5538    1.5468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3581    1.3632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8725    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702    2.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894    0.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9411    0.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6844    1.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    2.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7461    1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011    3.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038    2.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 14 15  1  1  0  0  0
 13 16  1  1  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  1  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  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 20 31  1  0  0  0  0
M  END


  Mrv2104 01042404452D          

 31 33  0  0  1  0            999 V2000
    4.7785   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9535   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538   -0.3070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3702   -1.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    0.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    0.2074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1655   -0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088    1.0324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5538    1.5468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3581    1.3632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8725    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702    2.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894    0.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9411    0.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6844    1.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    2.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7461    1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7011    3.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195    3.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1038    2.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 14 15  1  1  0  0  0
 13 16  1  1  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  1  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  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 20 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332322

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC(OC)=C1OC)[C@@H]1[C@@H](C)[C@]2(OC)OC(=O)[C@@]1(OC)[C@@H](O)C(CC=C)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C23H30O8/c1-8-9-14-12-22(29-6)13(2)18(23(30-7,20(14)24)21(25)31-22)15-10-16(26-3)19(28-5)17(11-15)27-4/h8,10-13,18,20,24H,1,9H2,2-7H3/t13-,18+,20+,22-,23+/m1/s1

> <INCHI_KEY>
XPFCXFDHTXJSLE-AWDBMEFFSA-N

> <FORMULA>
C23H30O8

> <MOLECULAR_WEIGHT>
434.485

> <EXACT_MASS>
434.194067926

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
45.6659777514285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,5S,8S,9R)-2-hydroxy-1,5-dimethoxy-9-methyl-3-(prop-2-en-1-yl)-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-en-7-one

> <JCHEM_LOGP>
2.785599515666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.131690663095627

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6159985039619733

> <JCHEM_POLAR_SURFACE_AREA>
92.68000000000002

> <JCHEM_REFRACTIVITY>
113.32909999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5S,8S,9R)-2-hydroxy-1,5-dimethoxy-9-methyl-3-(prop-2-en-1-yl)-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-en-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-JAN-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JAN-24         0                                  
HETATM    1  C   UNK     0       8.920  -0.176   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.380  -0.176   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.610   1.157   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.070   1.157   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.402  -0.230   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.900  -0.573   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.558  -2.074   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.687  -3.122   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.612   0.580   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.696   0.387   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.309  -0.281   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.696   1.927   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.900   2.887   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.402   2.545   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.362   3.749   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.558   4.389   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.687   5.436   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.612   1.734   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.100   1.441   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.309   2.595   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.964   1.728   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.351   2.396   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.623   1.529   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -5.011   2.197   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.466   3.932   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -3.854   4.600   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -5.126   3.732   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.194   4.799   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.309   6.335   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -0.036   7.202   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.194   4.131   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9   10                                             
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   18                                                       
CONECT   10    6   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   20                                                  
CONECT   13   12   14   16   18                                             
CONECT   14   13    4   15                                                  
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16                                                            
CONECT   18   13    9   19                                                  
CONECT   19   18                                                            
CONECT   20   12   21   31                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   20                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₃₀O₈

Average Mass

434.4850 Da

Monoisotopic Mass

434.19407 Da

IUPAC Name

(1S,2S,5S,8S,9R)-2-hydroxy-1,5-dimethoxy-9-methyl-3-(prop-2-en-1-yl)-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-en-7-one

Traditional Name

(1S,2S,5S,8S,9R)-2-hydroxy-1,5-dimethoxy-9-methyl-3-(prop-2-en-1-yl)-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-en-7-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC(OC)=C1OC)[C@@H]1[C@@H](C)[C@]2(OC)OC(=O)[C@@]1(OC)[C@@H](O)C(CC=C)=C2

InChI Identifier

InChI=1S/C23H30O8/c1-8-9-14-12-22(29-6)13(2)18(23(30-7,20(14)24)21(25)31-22)15-10-16(26-3)19(28-5)17(11-15)27-4/h8,10-13,18,20,24H,1,9H2,2-7H3/t13-,18+,20+,22-,23+/m1/s1

InChI Key

XPFCXFDHTXJSLE-AWDBMEFFSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	batista.junior@unifesp.br	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)	batista.junior@unifesp.br	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	batista.junior@unifesp.br	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)	batista.junior@unifesp.br	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	batista.junior@unifesp.br	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	batista.junior@unifesp.br	Federal University of Sao Paulo - UNIFESP	Joao M Batista Jr	2024-05-03	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
aciphylla		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Fatty alcohol ester
Secoiridoid-skeleton
Monoterpenoid
Bicyclic monoterpenoid
Aromatic monoterpenoid
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Ketal
Delta_valerolactone
Fatty acid ester
Delta valerolactone
Beta-hydroxy acid
Alkyl aryl ether
Fatty acyl
Benzenoid
Oxane
Monosaccharide
Hydroxy acid
Monocyclic benzene moiety
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	2.79	ChemAxon
pKa (Strongest Acidic)	13.13	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	92.68 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	113.33 m³·mol⁻¹	ChemAxon
Polarizability	45.67 Å³	ChemAxon
Number of Rings	3	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

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

Not Available

Showing NP-Card for (+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one (NP0332322)

MOL for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

3D MOL for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

3D SDF for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

3D-SDF for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

PDB for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

3D PDB for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

SMILES for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

INCHI for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

Structure for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)

3D Structure for NP0332322 ((+)-(7S,8R,2’S,3’S,5’S)-1’-allyl-2’-hydroxy-3’,5’-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5’-oxabicyclo[3.2.2]non-1’-en-4’-one)