NP-MRD: Showing NP-Card for 3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate (NP0044786)

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Record Information

Version

2.0

Created at

2022-02-24 21:16:08 UTC

Updated at

2026-02-13 20:01:45 UTC

NP-MRD ID

NP0044786

Natural Product DOI

https://doi.org/10.57994/6718

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate

Description

3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate was first documented in 1999 (Dong, et al.). Based on a literature review very few articles have been published on 3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
    7.4783   -0.3988   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3686   -1.0287   -0.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0517   -0.6911   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    0.2845    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4117    0.5963    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3574   -0.0351    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9553    0.2260    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0594   -0.4965   -0.3171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319   -0.3629   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1106   -1.1469   -0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736   -1.0577   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3105   -1.8846   -1.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7043   -1.7152   -1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9719   -0.1113    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1519    0.6967    0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6956    1.6234    1.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0889    1.7554    1.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7722    0.5679    0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9053    1.3464    1.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3501    2.2077    2.1944 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661    1.1494    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998    1.9436    1.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -1.0412   -0.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934   -1.3411   -1.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025    0.3782   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3197    0.6753   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3055   -0.4401   -1.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -0.9592    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5149    0.8391    0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2273    1.3915    1.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183   -1.8939   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2558   -2.4525   -2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9318   -0.6669   -1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9519   -1.8553   -0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0565   -0.0430    0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883    0.8151    2.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5139    2.0496    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3376    2.5309    2.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    2.6288    2.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8570   -1.5747   -1.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131   -2.1311   -1.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093   -0.1900   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8118   -0.1882    0.0000 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 21  2  0
 21 22  1  0
 21 19  1  0
 19 20  2  0
 19 18  1  0
 18  9  2  0
  9  8  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 24  3  1  0
  8  7  1  0
 15 18  1  0
 25 42  1  0
 25 43  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  0
 23 40  1  0
 24 41  1  0
 22 39  1  0
 10 31  1  0
 13 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 17 36  1  0
 17 37  1  0
 17 38  1  0
M  END


  Mrv1652302242222162D          

 25 26  0  0  0  0            999 V2000
   -4.0784    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3640    1.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206    0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6495    0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -1.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084    0.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373   -1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373   -1.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -2.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663    0.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206   -1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1379    0.0000    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044786

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O.COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(OC)C=C2OC

> <INCHI_IDENTIFIER>
InChI=1S/C18H16O6.H2O/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18;/h4-9,20H,1-3H3;1H2

> <INCHI_KEY>
NZOQXWKLPDICJZ-UHFFFAOYSA-N

> <FORMULA>
C18H18O7

> <MOLECULAR_WEIGHT>
346.335

> <EXACT_MASS>
346.10525292

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.82946721070882

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one hydrate

> <ALOGPS_LOGP>
2.10

> <JCHEM_LOGP>
2.2475469536666663

> <ALOGPS_LOGS>
-3.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.913176807931757

> <JCHEM_PKA_STRONGEST_BASIC>
-3.829636464210819

> <JCHEM_POLAR_SURFACE_AREA>
74.22000000000001

> <JCHEM_REFRACTIVITY>
88.3282

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one hydrate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-22         0                                  
HETATM    1  C   UNK     0      -7.613   2.599   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.279   3.369   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.946   2.599   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.612   3.369   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.278   2.599   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.278   1.059   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.612   0.289   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.946   1.059   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.945   0.289   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.945  -1.251   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.389  -2.021   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.389  -3.561   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.723  -1.251   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.723   0.289   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.389   1.059   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.056   1.059   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.390   0.289   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.390  -1.251   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.056  -2.021   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.056  -3.561   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.390  -4.331   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.724   1.059   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.057   0.289   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.278  -2.021   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      11.457   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3                                                       
CONECT    9    6   10   15                                                  
CONECT   10    9   11   24                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   19                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14    9                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   13   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   17   23                                                       
CONECT   23   22                                                            
CONECT   24   10                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-5,7,4'-trimethoxyflavone monohydric acid	Generator

Chemical Formula

C₁₈H₁₈O₇

Average Mass

346.3350 Da

Monoisotopic Mass

346.10525 Da

IUPAC Name

3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one hydrate

Traditional Name

3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one hydrate

CAS Registry Number

Not Available

SMILES

O.COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(OC)C=C2OC

InChI Identifier

InChI=1S/C18H16O6.H2O/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18;/h4-9,20H,1-3H3;1H2

InChI Key

NZOQXWKLPDICJZ-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

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

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-13	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Amomum koenigii		Not Available

Chemical Taxonomy

Classification

Not classified

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	2.1	ALOGPS
logP	2.25	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	8.91	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	74.22 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	88.33 m³·mol⁻¹	ChemAxon
Polarizability	33.83 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

21127945

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139069840

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hui Dong, Yu-Lin Gou, Shu-Geng Cao, Shao-Xing Chen, Keng-Yeow Sim, Swee-Hock Goh, R.Manjunatha Kini (1999). Hui Dong, Yu-Lin Gou, Shu-Geng Cao, Shao-Xing Chen, Keng-Yeow Sim, Swee-Hock Goh, R.Manjunatha Kini. Eicosenones and methylated flavonols from Amomumkoenigii. Phytochemistry Volume 50, Issue 5, 10 March 1999, Pages 899-902. 10.1016/S0031-9422(98)00622-0. Phytochemistry.
DOI: 10.1016/s0031-9422(98)00622-0

Showing NP-Card for 3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate (NP0044786)

MOL for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

3D MOL for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

3D SDF for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

3D-SDF for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

PDB for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

3D PDB for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

SMILES for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

INCHI for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

Structure for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)

3D Structure for NP0044786 (3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate)