NP-MRD: Showing NP-Card for Baicalein 5,6,7-trimethyl ether (NP0052246)

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Record Information

Version

2.0

Created at

2022-04-27 23:22:29 UTC

Updated at

2022-04-27 23:22:29 UTC

NP-MRD ID

NP0052246

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Baicalein 5,6,7-trimethyl ether

Description

5,6,7-Trimethoxy-2-phenyl-4H-chromen-4-one, also known as baicalein 5,6,7-trimethyl ether, belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one is considered to be a flavonoid lipid molecule. A trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. Baicalein 5,6,7-trimethyl ether is found in Callicarpa japonica, Friesodielsia velutina, Helichrysum nitens, Kickxia lanigera, Physalis minima , Popowia cauliflora and Zeyhera tuberculosa. Baicalein 5,6,7-trimethyl ether was first documented in 2005 (PMID: 15642351). 5,6,7-Trimethoxy-2-phenyl-4H-chromen-4-one is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 18470630).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
   -2.8636    3.5651    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    2.2309    0.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130    1.2058    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739    1.4893    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1595    0.4615   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1408    0.7183   -0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0205   -0.2449   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4299    0.1065   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    1.4475   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224    1.8493   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1303    0.9318   -0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922   -0.3982   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546   -0.8062   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387   -1.5569   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819   -1.9157   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1016   -3.1118   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010   -0.8593   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -1.1577    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243   -2.4526    0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6543   -3.2333    1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8538   -0.1279    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1878   -0.4202    0.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0317   -0.5742   -0.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2786    3.7630   -0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2051    3.7892    1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7802    4.2154    0.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6986    2.5259    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281    2.1788   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    2.9050   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1698    1.2432   -0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5876   -1.1284   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2302   -1.8770   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3277   -2.3985   -0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6613   -3.0445    1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5882   -4.3119    0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295   -3.1169    1.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4529    0.3749   -1.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9031   -1.2320   -0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4547   -1.0331   -1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 21  2  0
 21 22  1  0
 22 23  1  0
 21 18  1  0
 18 19  1  0
 19 20  1  0
 18 17  2  0
 17 15  1  0
 15 16  2  0
 15 14  1  0
 14  7  2  0
  7  6  1  0
  6  5  1  0
  5  4  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  4  3  1  0
 13  8  1  0
  5 17  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 37  1  0
 23 38  1  0
 23 39  1  0
 20 34  1  0
 20 35  1  0
 20 36  1  0
 14 33  1  0
  4 27  1  0
  9 28  1  0
 10 29  1  0
 11 30  1  0
 12 31  1  0
 13 32  1  0
M  END


  Mrv1652308211903592D          

 23 25  0  0  0  0            999 V2000
    5.0013   -0.4125    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
    3.5724   -2.8875    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
   -1.4289    0.0000    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
    0.0000    0.8250    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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   -0.4125    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
    3.5724   -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   -1.2375    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
    1.4289   -2.4750    0.0000 O   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
    4.2868   -1.6500    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
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 11  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  2  0  0  0  0
 20  1  1  0  0  0  0
 20 15  1  0  0  0  0
 21  2  1  0  0  0  0
 21 17  1  0  0  0  0
 22  3  1  0  0  0  0
 22 18  1  0  0  0  0
 23 13  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052246

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3

> <INCHI_KEY>
HJNJAUYFFFOFBW-UHFFFAOYSA-N

> <FORMULA>
C18H16O5

> <MOLECULAR_WEIGHT>
312.321

> <EXACT_MASS>
312.099773615

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
32.79748008160191

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one

> <ALOGPS_LOGP>
3.15

> <JCHEM_LOGP>
2.494371301666667

> <ALOGPS_LOGS>
-4.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.23506527163898

> <JCHEM_PKA_STRONGEST_BASIC>
-4.421535736961647

> <JCHEM_POLAR_SURFACE_AREA>
53.99000000000001

> <JCHEM_REFRACTIVITY>
86.36079999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.28e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,6,7-trimethoxyflavone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 21-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-AUG-19         0                                  
HETATM    1  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   2.310   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       0.000   1.540   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  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   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  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.002  -3.080   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       2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3   22                                                            
CONECT    4    5    6                                                       
CONECT    5    4    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5   11                                                       
CONECT    8    6   11                                                       
CONECT    9   12   13                                                       
CONECT   10   14   15                                                       
CONECT   11    7    8   13                                                  
CONECT   12    9   16   19                                                  
CONECT   13    9   11   23                                                  
CONECT   14   10   16   23                                                  
CONECT   15   10   17   20                                                  
CONECT   16   12   14   18                                                  
CONECT   17   15   18   21                                                  
CONECT   18   16   17   22                                                  
CONECT   19   12                                                            
CONECT   20    1   15                                                       
CONECT   21    2   17                                                       
CONECT   22    3   18                                                       
CONECT   23   13   14                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
Baicalein 5,6,7-trimethyl ether	ChEBI

Chemical Formula

C₁₈H₁₆O₅

Average Mass

312.3210 Da

Monoisotopic Mass

312.09977 Da

IUPAC Name

5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one

Traditional Name

5,6,7-trimethoxyflavone

CAS Registry Number

Not Available

SMILES

COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3

InChI Key

HJNJAUYFFFOFBW-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
Callicarpa japonica	Plant	KNApSAcK
Friesodielsia velutina	LOTUS Database	35616633
Helichrysum nitens	Plant	KNApSAcK
Kickxia lanigera	Plant	KNApSAcK
Physalis minima	Plant	KNApSAcK
Popowia cauliflora	Plant	KNApSAcK
Zeyhera tuberculosa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

7-O-methylated flavonoids

Alternative Parents

Substituents

5-methoxyflavonoid-skeleton
6-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
Flavone
Chromone
1-benzopyran
Benzopyran
Anisole
Pyranone
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous ester
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

trimethoxyflavone (CHEBI:2980 )
flavones (C10024 )
Flavones and Flavonols (C10024 )
Flavones and Flavonols (LMPK12111100 )

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	3.15	ALOGPS
logP	2.49	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	15.24	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	53.99 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	86.36 m³·mol⁻¹	ChemAxon
Polarizability	32.8 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

HMDB0128592

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB087443

KNApSAcK ID

C00003808

Chemspider ID

Not Available

KEGG Compound ID

C10024

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

442583

PDB ID

Not Available

ChEBI ID

2980

Good Scents ID

Not Available

References

General References

Morita M, Kanai M, Mizuno S, Iwashima M, Hayashi T, Shimozawa N, Suzuki Y, Imanaka T: Baicalein 5,6,7-trimethyl ether activates peroxisomal but not mitochondrial fatty acid beta-oxidation. J Inherit Metab Dis. 2008 Jun;31(3):442-9. doi: 10.1007/s10545-008-0857-2. Epub 2008 May 9. [PubMed:18470630 ]
Morita M, Takahashi I, Kanai M, Okafuji F, Iwashima M, Hayashi T, Watanabe S, Hamazaki T, Shimozawa N, Suzuki Y, Furuya H, Yamada T, Imanaka T: Baicalein 5,6,7-trimethyl ether, a flavonoid derivative, stimulates fatty acid beta-oxidation in skin fibroblasts of X-linked adrenoleukodystrophy. FEBS Lett. 2005 Jan 17;579(2):409-14. doi: 10.1016/j.febslet.2004.11.102. [PubMed:15642351 ]

Showing NP-Card for Baicalein 5,6,7-trimethyl ether (NP0052246)

MOL for NP0052246 (Baicalein 5,6,7-trimethyl ether)

3D MOL for NP0052246 (Baicalein 5,6,7-trimethyl ether)

3D SDF for NP0052246 (Baicalein 5,6,7-trimethyl ether)

3D-SDF for NP0052246 (Baicalein 5,6,7-trimethyl ether)

PDB for NP0052246 (Baicalein 5,6,7-trimethyl ether)

3D PDB for NP0052246 (Baicalein 5,6,7-trimethyl ether)

SMILES for NP0052246 (Baicalein 5,6,7-trimethyl ether)

INCHI for NP0052246 (Baicalein 5,6,7-trimethyl ether)

Structure for NP0052246 (Baicalein 5,6,7-trimethyl ether)

3D Structure for NP0052246 (Baicalein 5,6,7-trimethyl ether)