NP-MRD: Showing NP-Card for 7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid (NP0179599)

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Record Information

Version

2.0

Created at

2022-09-03 17:48:38 UTC

Updated at

2022-09-03 17:48:38 UTC

NP-MRD ID

NP0179599

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

Description

7-{[2,4-Dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]Pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylic acid belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). 7-{[2,4-Dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]Pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251503562D          

 40 43  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004251503562D          

 40 43  0  0  0  0            999 V2000
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 10 34  1  0  0  0  0
 19 34  2  0  0  0  0
  8 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
  5 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0179599

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=C(C)C(CC2=C(O)C(C(O)=O)=C(C)C3=C2OC(=O)C2=C(C)C=C(O)C(C=O)=C2O3)=C(O)C(C)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H24O12/c1-9-6-16(30)15(8-29)24-17(9)28(37)40-25-14(22(33)18(26(34)35)11(3)23(25)39-24)7-13-10(2)19(27(36)38-5)21(32)12(4)20(13)31/h6,8,30-33H,7H2,1-5H3,(H,34,35)

> <INCHI_KEY>
BIECHDFOWIXSMP-UHFFFAOYSA-N

> <FORMULA>
C28H24O12

> <MOLECULAR_WEIGHT>
552.488

> <EXACT_MASS>
552.126776213

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
54.4513396872713

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

> <ALOGPS_LOGP>
3.53

> <JCHEM_LOGP>
7.216503109999999

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.256117828321644

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.596142618752031

> <JCHEM_PKA_STRONGEST_BASIC>
-3.809438881469291

> <JCHEM_POLAR_SURFACE_AREA>
197.11999999999995

> <JCHEM_REFRACTIVITY>
141.73479999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      -6.235  -3.311   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.106  -4.359   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -3.635  -3.905   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.292  -2.403   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.506  -4.952   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.034  -4.498   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.692  -2.997   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.095  -5.546   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.566  -5.092   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.909  -3.590   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.780  -2.543   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.677  -2.045   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.123  -1.042   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.006   0.006   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.336   1.507   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -1.478  -0.448   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.594  -0.588   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.937   0.914   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.723  -1.635   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.111  -0.967   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.498  -1.635   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.627  -0.588   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.284   0.914   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.413   1.961   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.099  -1.042   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      10.227   0.006   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       9.441  -2.543   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.312  -3.590   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.655  -5.092   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.841  -3.137   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.881  -4.341   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.549  -5.728   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.341  -4.341   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.380  -3.137   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.248  -7.047   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.881  -8.095   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -1.720  -7.501   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.062  -9.002   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.849  -6.454   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -4.320  -6.908   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   39                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   35                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   34                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   34                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   30                                                  
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   21   31                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   10   19                                                  
CONECT   35    8   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37    5   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0,]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate	Generator
7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylate	Generator

Chemical Formula

C₂₈H₂₄O₁₂

Average Mass

552.4880 Da

Monoisotopic Mass

552.12678 Da

IUPAC Name

7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

Traditional Name

7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

COC(=O)C1=C(C)C(CC2=C(O)C(C(O)=O)=C(C)C3=C2OC(=O)C2=C(C)C=C(O)C(C=O)=C2O3)=C(O)C(C)=C1O

InChI Identifier

InChI=1S/C28H24O12/c1-9-6-16(30)15(8-29)24-17(9)28(37)40-25-14(22(33)18(26(34)35)11(3)23(25)39-24)7-13-10(2)19(27(36)38-5)21(32)12(4)20(13)31/h6,8,30-33H,7H2,1-5H3,(H,34,35)

InChI Key

BIECHDFOWIXSMP-UHFFFAOYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Sub Class

Not Available

Direct Parent

Depsides and depsidones

Alternative Parents

Substituents

Depsidone
P-hydroxybenzoic acid alkyl ester
P-hydroxybenzoic acid ester
O-hydroxybenzoic acid ester
Diaryl ether
Dihydroxybenzoic acid
Benzoate ester
Hydroxybenzoic acid
Salicylic acid or derivatives
Benzoic acid or derivatives
P-xylenol
Xylenol
Benzoyl
P-xylene
Xylene
M-cresol
O-cresol
Resorcinol
Phenol
1-hydroxy-2-unsubstituted benzenoid
Aryl-aldehyde
1,4-dioxepine
Dioxepine
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Methyl ester
Lactone
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Ether
Carboxylic acid derivative
Carboxylic acid
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aldehyde
Organic oxide
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	3.53	ALOGPS
logP	7.22	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	2.6	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	197.12 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	141.73 m³·mol⁻¹	ChemAxon
Polarizability	54.45 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

21606101

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid (NP0179599)

MOL for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

3D MOL for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

3D SDF for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

3D-SDF for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

PDB for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

3D PDB for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

SMILES for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

INCHI for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

Structure for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)

3D Structure for NP0179599 (7-{[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenyl]methyl}-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid)