NP-MRD: Showing NP-Card for 3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one (NP0230502)

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Record Information

Version

2.0

Created at

2022-09-06 10:57:51 UTC

Updated at

2022-09-06 10:57:52 UTC

NP-MRD ID

NP0230502

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one

Description

3-(4-Methoxyphenyl)-1-(1,6,7-trihydroxy-9-{3-[(4-hydroxyphenyl)methyl]butan-2-yl}-3-methoxy-9H-xanthen-2-yl)propan-1-one belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position. 3-(4-Methoxyphenyl)-1-(1,6,7-trihydroxy-9-{3-[(4-hydroxyphenyl)methyl]butan-2-yl}-3-methoxy-9H-xanthen-2-yl)propan-1-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241507152D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004241507152D          

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    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   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
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   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
   -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 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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 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
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 28 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 14 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 11 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  6 42  1  0  0  0  0
 42 43  2  0  0  0  0
  3 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230502

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(CCC(=O)C2=C(O)C3=C(OC4=CC(O)=C(O)C=C4C3C(C)C(C)CC3=CC=C(O)C=C3)C=C2OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H36O8/c1-19(15-22-5-10-23(36)11-6-22)20(2)32-25-16-27(38)28(39)17-29(25)43-31-18-30(42-4)33(35(40)34(31)32)26(37)14-9-21-7-12-24(41-3)13-8-21/h5-8,10-13,16-20,32,36,38-40H,9,14-15H2,1-4H3

> <INCHI_KEY>
PTAWTGMGXRUBSS-UHFFFAOYSA-N

> <FORMULA>
C35H36O8

> <MOLECULAR_WEIGHT>
584.665

> <EXACT_MASS>
584.241018119

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
64.04257218651604

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(4-methoxyphenyl)-1-(1,6,7-trihydroxy-9-{3-[(4-hydroxyphenyl)methyl]butan-2-yl}-3-methoxy-9H-xanthen-2-yl)propan-1-one

> <ALOGPS_LOGP>
6.05

> <JCHEM_LOGP>
7.877600651999998

> <ALOGPS_LOGS>
-5.66

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.239747555781786

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.60103833221104

> <JCHEM_PKA_STRONGEST_BASIC>
-3.657327300212096

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
164.09749999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.29e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(4-methoxyphenyl)-1-(1,6,7-trihydroxy-9-{3-[(4-hydroxyphenyl)methyl]butan-2-yl}-3-methoxy-9H-xanthen-2-yl)propan-1-one

> <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      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   42                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   39                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   37                                                  
CONECT   15   14   16   28                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   21                                                       
CONECT   28   15   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   28   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36   14   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   11   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42    6   43                                                       
CONECT   43   42    3                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₆O₈

Average Mass

584.6650 Da

Monoisotopic Mass

584.24102 Da

IUPAC Name

3-(4-methoxyphenyl)-1-(1,6,7-trihydroxy-9-{3-[(4-hydroxyphenyl)methyl]butan-2-yl}-3-methoxy-9H-xanthen-2-yl)propan-1-one

Traditional Name

3-(4-methoxyphenyl)-1-(1,6,7-trihydroxy-9-{3-[(4-hydroxyphenyl)methyl]butan-2-yl}-3-methoxy-9H-xanthen-2-yl)propan-1-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(CCC(=O)C2=C(O)C3=C(OC4=CC(O)=C(O)C=C4C3C(C)C(C)CC3=CC=C(O)C=C3)C=C2OC)C=C1

InChI Identifier

InChI=1S/C35H36O8/c1-19(15-22-5-10-23(36)11-6-22)20(2)32-25-16-27(38)28(39)17-29(25)43-31-18-30(42-4)33(35(40)34(31)32)26(37)14-9-21-7-12-24(41-3)13-8-21/h5-8,10-13,16-20,32,36,38-40H,9,14-15H2,1-4H3

InChI Key

PTAWTGMGXRUBSS-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 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Sub Class

Chalcones and dihydrochalcones

Direct Parent

2'-Hydroxy-dihydrochalcones

Alternative Parents

Substituents

2'-hydroxy-dihydrochalcone
Dibenzopyran
Xanthene
Diaryl ether
Butyrophenone
1-benzopyran
Benzopyran
Phenylpropane
Phenol ether
Anisole
Phenoxy compound
Aryl ketone
Aryl alkyl ketone
Methoxybenzene
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Ketone
Ether
Polyol
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
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	6.05	ALOGPS
logP	7.88	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	8.6	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	164.1 m³·mol⁻¹	ChemAxon
Polarizability	64.04 Å³	ChemAxon
Number of Rings	5	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

15160717

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one (NP0230502)

MOL for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

3D MOL for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

3D SDF for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

3D-SDF for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

PDB for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

3D PDB for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

SMILES for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

INCHI for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

Structure for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)

3D Structure for NP0230502 (3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one)