NP-MRD: Showing NP-Card for 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol (NP0085147)

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Record Information

Version

2.0

Created at

2022-04-29 05:45:21 UTC

Updated at

2022-04-29 05:45:21 UTC

NP-MRD ID

NP0085147

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol

Description

2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol has been detected, but not quantified in, fruits. 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is found in Fusarium oxysporum and Musa acuminata . This could make 2,3-dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 45  0  0  0  0  0  0  0  0999 V2000
    6.1218   -1.2564    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4663   -0.5663   -0.6922 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1519   -0.1192   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493   -0.3508    0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373    0.1122    0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060    0.7899   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    1.2350   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2053    2.5867   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5074    3.0033   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5224    2.1145    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8265    2.5272    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8488    1.6278    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5499    0.2870    0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2403   -0.1017    0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2203    0.7741    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814    0.3568    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034   -1.0911    0.1638 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4457   -1.4148   -0.8055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -1.8524   -0.2991 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5343   -3.1947   -0.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9058   -1.5445    0.6473 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6062   -1.8706    1.9589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2326    1.0141   -1.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263    0.5604   -1.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4777   -2.0404    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216   -1.7808   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4393   -0.5566    1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9198   -0.8781    1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6480   -0.0905    1.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5996    3.2848   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837    4.0494   -0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0293    3.5876    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8654    1.9775    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3442   -0.4424    0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155   -1.4141    1.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651   -1.6924   -1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -1.4161   -1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3815   -3.4731   -1.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603   -2.1674    0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -2.8713    2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725    1.5413   -2.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0729    0.7563   -2.5370 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
  4  5  1  0
  5  6  2  0
  6 23  1  0
 23 24  2  0
  6  7  1  0
  7 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 14  1  0
 14 13  2  0
 13 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
 10 15  2  0
 24  3  1  0
  8  7  1  0
 15 16  1  0
 15 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  5 29  1  0
 23 41  1  0
 24 42  1  0
 17 35  1  1
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  6
 22 40  1  0
 13 34  1  0
 12 33  1  0
 11 32  1  0
  9 31  1  0
  8 30  1  0
M  END


  Mrv0541 05061312392D          

 24 27  0  0  0  0            999 V2000
    2.1434   -5.3625    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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
    2.1434   -2.8875    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
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    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
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -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
    3.5724   -0.4125    0.0000 C   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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24  1  1  0  0  0  0
 24 13  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0085147

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1)C1=C2C(O)C(O)C(O)C3=CC=CC(C=C1)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3

> <INCHI_KEY>
UBACNSNNFBHJLG-UHFFFAOYSA-N

> <FORMULA>
C20H18O4

> <MOLECULAR_WEIGHT>
322.3545

> <EXACT_MASS>
322.120509064

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
34.09449784847775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

> <ALOGPS_LOGP>
2.17

> <JCHEM_LOGP>
2.2352513889999996

> <ALOGPS_LOGS>
-3.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.981933997766127

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.759423541620233

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4315177834547157

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
91.07329999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.56e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   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   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
CONECT    1   24                                                            
CONECT    2    3    4                                                       
CONECT    3    2   12                                                       
CONECT    4    2   15                                                       
CONECT    5    8   11                                                       
CONECT    6    9   11                                                       
CONECT    7   10   12                                                       
CONECT    8    5   13                                                       
CONECT    9    6   13                                                       
CONECT   10    7   14                                                       
CONECT   11    5    6   14                                                  
CONECT   12    3    7   16                                                  
CONECT   13    8    9   24                                                  
CONECT   14   10   11   17                                                  
CONECT   15    4   16   18                                                  
CONECT   16   12   15   17                                                  
CONECT   17   14   16   19                                                  
CONECT   18   15   20   21                                                  
CONECT   19   17   20   22                                                  
CONECT   20   18   19   23                                                  
CONECT   21   18                                                            
CONECT   22   19                                                            
CONECT   23   20                                                            
CONECT   24    1   13                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₁₈O₄

Average Mass

322.3545 Da

Monoisotopic Mass

322.12051 Da

IUPAC Name

4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

Traditional Name

4-(4-methoxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1)C1=C2C(O)C(O)C(O)C3=CC=CC(C=C1)=C23

InChI Identifier

InChI=1S/C20H18O4/c1-24-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(22)20(23)18(15)21/h2-10,18-23H,1H3

InChI Key

UBACNSNNFBHJLG-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Fusarium oxysporum	Fungi	KNApSAcK
Musa acuminata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylnaphthalenes. Phenylnaphthalenes are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Phenylnaphthalene
Phenalane
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
Alkyl aryl ether
Monocyclic benzene moiety
Secondary alcohol
Ether
Polyol
Organic oxygen compound
Alcohol
Organooxygen compound
Hydrocarbon derivative
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	2.17	ALOGPS
logP	2.24	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.76	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	69.92 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	91.07 m³·mol⁻¹	ChemAxon
Polarizability	34.09 Å³	ChemAxon
Number of Rings	4	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

HMDB0041399

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021338

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

74027046

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol (NP0085147)

MOL for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

3D MOL for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

3D SDF for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

3D-SDF for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

PDB for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

3D PDB for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

SMILES for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

INCHI for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

Structure for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)

3D Structure for NP0085147 (2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol)