NP-MRD: Showing NP-Card for ladanetin (NP0052267)

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Record Information

Version

2.0

Created at

2022-04-27 23:23:07 UTC

Updated at

2022-04-27 23:23:07 UTC

NP-MRD ID

NP0052267

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ladanetin

Description

Sorbifolin 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, sorbifolin is considered to be a flavonoid lipid molecule. ladanetin is found in Adenocalymma alliaceum , Ambrosia ambrosioides, Anvillea garcinii, Balsamorhiza deltoidea, Calanticaria greggii, Dracocephalum tanguticum, Galeopsis ladanum, Garcinia andamanica, Halophila johnsonii, Heterotheca subaxillaris, Lagochilus leiacanthus, Lantana trifolia, Mentha piperita, Mentha pulegium , Mentha piperita , Ocimum americanum, Onopordon sibthorpianum, Origanum calcaratum, Origanum dictamnus , Origanum floribundum, Origanum majorana , Origanum microphyllum, Origanum onites , Origanum syriacum , Origanum vulgare subsp. Glandulosum , Origanum vulgare subsp. Hirtum , Pleocarphus revolutus, Pterogyne nitens, Pulicaria arabica, Sanbaria stellipila, Scoparia dulcis , Sorbaria sorbifolia , Sorbaria stellipila, Spathelia glabrescens, Spathelia sorbifolia and Thymus herba-barona . Sorbifolin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.9319   -2.4429    1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3957   -1.4881    0.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176   -0.6808    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0919   -0.8190    0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   -0.0222   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429   -0.1986    0.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0936    0.5199   -0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4977    0.2960   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507    1.0045   -0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8622    0.7316   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1500   -0.2437    0.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4640   -0.4760    1.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866   -0.9554    1.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -0.6838    0.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    1.4739   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5926    1.7007   -1.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    2.5657   -2.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    0.9261   -1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978    1.0928   -1.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    2.0073   -2.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257    0.2553   -0.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634    0.4086   -1.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -3.2130    1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555   -2.9306    2.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802   -1.9497    2.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -1.5636    1.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3766    1.7691   -1.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958    1.2886   -0.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9073    0.0146    1.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3152   -1.7209    2.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9579   -1.2508    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871    2.1091   -1.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029    2.6487   -2.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8499   -0.1732   -0.6173 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 18  2  0
 18 16  1  0
 16 17  2  0
 16 15  1  0
 15  7  2  0
  7  6  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 21  3  1  0
  6  5  1  0
 14  8  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
 15 32  1  0
  9 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 14 31  1  0
 20 33  1  0
 22 34  1  0
M  END

  Mrv1533004261511352D          

 22 24  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  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
    0.7145   -0.4125    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
    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 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
    2.8579   -1.6500    0.0000 C   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
    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 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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    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    0.8250    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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
  5 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 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
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052267

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

> <INCHI_KEY>
UWARRXZVZDFPQU-UHFFFAOYSA-N

> <FORMULA>
C16H12O6

> <MOLECULAR_WEIGHT>
300.266

> <EXACT_MASS>
300.063388106

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
29.757662382353722

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
3.12

> <JCHEM_LOGP>
2.5490178679999995

> <ALOGPS_LOGS>
-3.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.75586864640333

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.5618478135927285

> <JCHEM_PKA_STRONGEST_BASIC>
-4.792636585783684

> <JCHEM_POLAR_SURFACE_AREA>
96.22000000000001

> <JCHEM_REFRACTIVITY>
79.37710000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.67e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sorbifolin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.001  -2.310   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  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    5   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    3   15                                                  
CONECT   15   14                                                            
CONECT   16    7   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   16                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	MetaCyc

Chemical Formula

C₁₆H₁₂O₆

Average Mass

300.2660 Da

Monoisotopic Mass

300.06339 Da

IUPAC Name

5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

Traditional Name

sorbifolin

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C(=O)C=C(O2)C2=CC=C(O)C=C2)C(O)=C1O

InChI Identifier

InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

InChI Key

UWARRXZVZDFPQU-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
Adenocalymma alliaceum	Plant	KNApSAcK
Ambrosia ambrosioides	Plant	KNApSAcK
Anvillea garcinii	Plant	KNApSAcK
Balsamorhiza deltoidea	LOTUS Database	35616633
Calanticaria greggii	LOTUS Database	35616633
Dracocephalum tanguticum	LOTUS Database	35616633
Galeopsis ladanum	LOTUS Database	35616633
Garcinia andamanica	Plant	KNApSAcK
Halophila johnsonii	Plant	KNApSAcK
Heterotheca subaxillaris	LOTUS Database	35616633
Lagochilus leiacanthus	LOTUS Database	35616633
Lantana trifolia	LOTUS Database	35616633
Mentha piperita	LOTUS Database	35616633
Mentha pulegium	Plant	KNApSAcK
Mentha x piperita	Plant	KNApSAcK
Ocimum americanum	LOTUS Database	35616633
Onopordon sibthorpianum	Plant	KNApSAcK
Origanum calcaratum	Plant	KNApSAcK
Origanum dictamnus	Plant	KNApSAcK
Origanum floribundum	Plant	KNApSAcK
Origanum majorana	Plant	KNApSAcK
Origanum microphyllum	Plant	KNApSAcK
Origanum onites	Plant	KNApSAcK
Origanum syriacum	Plant	KNApSAcK
Origanum vulgare subsp. Glandulosum	Plant	KNApSAcK
Origanum vulgare subsp. Hirtum	Plant	KNApSAcK
Pleocarphus revolutus	Plant	KNApSAcK
Pterogyne nitens	Plant	KNApSAcK
Pulicaria arabica	LOTUS Database	35616633
Sanbaria stellipila	-	KNApSAcK
Scoparia dulcis	Plant	KNApSAcK
Sorbaria sorbifolia	Plant	KNApSAcK
Sorbaria stellipila	Plant	KNApSAcK
Spathelia glabrescens	Plant	KNApSAcK
Spathelia sorbifolia	Plant	KNApSAcK
Thymus herba-barona	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

7-methoxyflavonoid-skeleton
4'-hydroxyflavonoid
5-hydroxyflavonoid
6-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Ether
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12111161 )

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	3.12	ALOGPS
logP	2.55	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	7.56	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	96.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	79.38 m³·mol⁻¹	ChemAxon
Polarizability	29.76 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

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

3084390

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for ladanetin (NP0052267)

MOL for NP0052267 (ladanetin)

3D MOL for NP0052267 (ladanetin)

3D SDF for NP0052267 (ladanetin)

3D-SDF for NP0052267 (ladanetin)

PDB for NP0052267 (ladanetin)

3D PDB for NP0052267 (ladanetin)

SMILES for NP0052267 (ladanetin)

INCHI for NP0052267 (ladanetin)

Structure for NP0052267 (ladanetin)

3D Structure for NP0052267 (ladanetin)