NP-MRD: Showing NP-Card for (3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one (NP0223556)

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Record Information

Version

2.0

Created at

2022-09-06 01:41:18 UTC

Updated at

2022-09-06 01:41:18 UTC

NP-MRD ID

NP0223556

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

Description

Dihydrokaempferol, also known as aromadedrin, belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively. (3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one is found in Alcea rosea, Annona ambotay, Berchemia formosana, Pelargonium reniforme, Podocarpus nivalis and Ziziphus mauritiana. (3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one was first documented in 2022 (PMID: 35494635). Based on a literature review a small amount of articles have been published on dihydrokaempferol (PMID: 36054375) (PMID: 35847017) (PMID: 35818276) (PMID: 35755698).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.2887   -3.0553   -0.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -1.8432   -0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610   -0.8530   -0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721   -1.2602   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899   -2.5624   -0.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -0.2471   -0.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1262    1.0889   -0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393    2.0571   -0.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    1.4260   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811    0.4937   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397    0.8324   -0.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -0.1497    0.2415 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8785    0.3432    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760    1.0457   -0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6965    1.4984   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5043    1.2247    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8361    1.6344    0.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312    0.5161    1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166    0.0902    1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2780   -1.3656   -0.6673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2396   -2.3264   -0.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176   -3.4094   -0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606   -0.5364   -0.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5118    2.3283    0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169    2.4670   -0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -0.4739    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7337    1.2571   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990    2.0527   -1.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3089    2.1474   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6580    0.2940    2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3263   -0.4592    2.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750   -1.0351   -1.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8848   -3.2206   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  2  0
  9  7  1  0
  7  8  1  0
  7  6  2  0
  6  4  1  0
  4  5  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  2 20  1  0
 19 13  1  0
  3 10  1  0
 21 33  1  0
 20 32  1  6
 12 26  1  1
  9 25  1  0
  8 24  1  0
  6 23  1  0
  5 22  1  0
 14 27  1  0
 15 28  1  0
 17 29  1  0
 18 30  1  0
 19 31  1  0
M  END


  Mrv1652309062203412D          

 21 23  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 O   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
    2.1434   -0.4125    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
    2.8579    0.8250    0.0000 O   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
    3.5724   -1.2375    0.0000 C   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   -1.6500    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   -1.6500    0.0000 O   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
    0.0000   -1.6500    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
   -2.1434   -2.8875    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
   -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  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0223556

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15?/m1/s1

> <INCHI_KEY>
PADQINQHPQKXNL-GICMACPYSA-N

> <FORMULA>
C15H12O6

> <MOLECULAR_WEIGHT>
288.255

> <EXACT_MASS>
288.063388106

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
28.12844514884856

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

> <JCHEM_LOGP>
2.1199495896666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.133303712906603

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.749666077541202

> <JCHEM_PKA_STRONGEST_BASIC>
-4.035510007878767

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
72.62800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   13                                                       
CONECT   20   12    2   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
Dihydro-kaempferol	MeSH
Aromadedrin	MeSH
Dihydro-kempferol	MeSH
Dihydrokempferol	MeSH
Aromadendrin	MeSH

Chemical Formula

C₁₅H₁₂O₆

Average Mass

288.2550 Da

Monoisotopic Mass

288.06339 Da

IUPAC Name

(3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

(3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

O[C@H]1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15?/m1/s1

InChI Key

PADQINQHPQKXNL-GICMACPYSA-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
Alcea rosea	LOTUS Database	35616633
Annona ambotay	LOTUS Database	35616633
Berchemia formosana	LOTUS Database	35616633
Pelargonium reniforme	LOTUS Database	35616633
Podocarpus nivalis	LOTUS Database	35616633
Ziziphus mauritiana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanonols

Alternative Parents

Substituents

Hydroxyflavonoid
Flavanonol
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
Chromone
1-benzopyran
Benzopyran
Chromane
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	2.12	ChemAxon
pKa (Strongest Acidic)	7.75	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	107.22 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	72.63 m³·mol⁻¹	ChemAxon
Polarizability	28.13 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

C00006089

Chemspider ID

46755954

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Aromadendrin

METLIN ID

Not Available

PubChem Compound

118855455

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Li Y, Chen Y, Xie W, Li X, Mei G, Xu J, Zhao X, Teng H, Yang G: Phenolic Compounds From the Stems and Leaves of Berchemia lineata (L.) DC. Front Chem. 2022 Apr 14;10:889441. doi: 10.3389/fchem.2022.889441. eCollection 2022. [PubMed:35494635 ]
Aiguo Z, Ruiwen D, Cheng W, Cheng C, Dongmei W: Insights into the catalytic and regulatory mechanisms of dihydroflavonol 4-reductase, a key enzyme of anthocyanin synthesis in Zanthoxylum bungeanum. Tree Physiol. 2023 Jan 5;43(1):169-184. doi: 10.1093/treephys/tpac101. [PubMed:36054375 ]
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LOTUS database [Link]

Showing NP-Card for (3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one (NP0223556)

MOL for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0223556 ((3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one)