NP-MRD: Showing NP-Card for methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate (NP0216428)

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Record Information

Version

2.0

Created at

2022-09-05 16:23:38 UTC

Updated at

2022-09-05 16:23:38 UTC

NP-MRD ID

NP0216428

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate

Description

Gasteriacenone C belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate is found in Gasteria bicolor. methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate was first documented in 1996 (PMID: 8835456). Based on a literature review very few articles have been published on Gasteriacenone C.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.3142    0.5511   -0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519    0.8315   -0.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451   -0.1399   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918   -1.2394   -0.7414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788    0.2217   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3406    1.5230    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2889    2.4579    0.6216 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0065    1.8802    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0175    0.9852    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313    1.3721    0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817    0.5061    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -0.7796    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8787   -1.1655   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680   -2.4321   -0.5701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1972   -0.2881    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168   -0.6690   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055   -2.0480   -0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3261   -1.6464    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821   -2.8549    0.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6585   -1.1235   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7272    0.3807   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8023    0.8747    0.8985 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8712    2.2458    0.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3454   -0.3573   -1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    0.3417    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676    1.4318   -0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992    2.6299    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    2.8966    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4976    2.3816    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3460   -3.1066   -0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185   -2.2111   -1.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603   -2.2509   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -2.8096    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -1.2897   -1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4965   -1.6592    0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7621    0.6017    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5677    0.9379   -1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1572    0.4081    1.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0676    2.6117    1.8452 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
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 22  1  0
 22 23  1  0
 22 21  1  0
 21 20  1  0
 20 18  1  0
 18 19  2  0
 18 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16  5  1  0
 15  9  1  0
 12 11  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  7 27  1  0
  8 28  1  0
 10 29  1  0
 22 38  1  1
 23 39  1  0
 21 36  1  0
 21 37  1  0
 20 34  1  0
 20 35  1  0
 14 30  1  0
 17 31  1  0
 17 32  1  0
 17 33  1  0
M  END


  Mrv1652309052218232D          

 23 25  0  0  0  0            999 V2000
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0216428

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=C(O)C=C2C=C3C(O)CCC(=O)C3=C(O)C2=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C17H16O6/c1-7-13-8(6-12(20)14(7)17(22)23-2)5-9-10(18)3-4-11(19)15(9)16(13)21/h5-6,10,18,20-21H,3-4H2,1-2H3

> <INCHI_KEY>
VSWBKQFFEPLVJX-UHFFFAOYSA-N

> <FORMULA>
C17H16O6

> <MOLECULAR_WEIGHT>
316.309

> <EXACT_MASS>
316.094688235

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
32.242882926165734

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 3,5,9-trihydroxy-1-methyl-8-oxo-5,6,7,8-tetrahydroanthracene-2-carboxylate

> <JCHEM_LOGP>
3.249558068

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.454899158749077

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.244570368527471

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1694100759856987

> <JCHEM_POLAR_SURFACE_AREA>
104.06000000000002

> <JCHEM_REFRACTIVITY>
83.3207

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5H-anthracene-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.001  -6.930   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   16                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   22                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    9   16                                                  
CONECT   16   15    5   17                                                  
CONECT   17   16                                                            
CONECT   18   12   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   11   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
3,4-Dihydro-4,6,9-trihydroxy-7-carbomethoxy-8-methyl-1(2H)-anthracenone	MeSH

Chemical Formula

C₁₇H₁₆O₆

Average Mass

316.3090 Da

Monoisotopic Mass

316.09469 Da

IUPAC Name

methyl 3,5,9-trihydroxy-1-methyl-8-oxo-5,6,7,8-tetrahydroanthracene-2-carboxylate

Traditional Name

methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5H-anthracene-2-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=C(O)C=C2C=C3C(O)CCC(=O)C3=C(O)C2=C1C

InChI Identifier

InChI=1S/C17H16O6/c1-7-13-8(6-12(20)14(7)17(22)23-2)5-9-10(18)3-4-11(19)15(9)16(13)21/h5-6,10,18,20-21H,3-4H2,1-2H3

InChI Key

VSWBKQFFEPLVJX-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

Species Name	Source	Reference
Gasteria bicolor	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Anthracenes

Sub Class

Anthracenecarboxylic acids and derivatives

Direct Parent

Anthracenecarboxylic acids

Alternative Parents

Substituents

Anthracene carboxylic acid
2-naphthalenecarboxylic acid
2-naphthalenecarboxylic acid or derivatives
2-naphthol
1-naphthol
Salicylic acid or derivatives
Tetralin
Aryl alkyl ketone
Aryl ketone
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Vinylogous acid
Methyl ester
Secondary alcohol
Ketone
Carboxylic acid ester
Polyol
Carboxylic acid derivative
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	3.25	ChemAxon
pKa (Strongest Acidic)	8.24	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	83.32 m³·mol⁻¹	ChemAxon
Polarizability	32.24 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	No	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

101690775

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dagne E, Van Wyk BE, Mueller M, Steglich W: Three dihydroanthracenones from Gasteria bicolor. Phytochemistry. 1996 Feb;41(3):795-9. doi: 10.1016/0031-9422(95)00704-0. [PubMed:8835456 ]
LOTUS database [Link]

Showing NP-Card for methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate (NP0216428)

MOL for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

3D MOL for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

3D SDF for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

3D-SDF for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

PDB for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

3D PDB for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

SMILES for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

INCHI for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

Structure for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)

3D Structure for NP0216428 (methyl 3,5,9-trihydroxy-1-methyl-8-oxo-6,7-dihydro-5h-anthracene-2-carboxylate)