NP-MRD: Showing NP-Card for 8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one (NP0288444)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-09 18:09:06 UTC

Updated at

2022-09-09 18:09:06 UTC

NP-MRD ID

NP0288444

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

Description

Mexoticin belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). 8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one is found in Merrillia caloxylon. 8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one was first documented in 2003 (PMID: 12898423). Based on a literature review a small amount of articles have been published on Mexoticin (PMID: 19112893) (PMID: 34641527) (PMID: 25920269) (PMID: 16431036).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -0.3516    3.2010    1.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682    1.9381    0.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7185    0.9057    0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0788    1.1179    0.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9725    0.0895    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3554    0.2856    0.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8716    1.5545    1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613   -1.1403    0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3373   -2.1802   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7960   -3.4020   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4227   -3.5191   -0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -4.6812   -0.7493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967   -2.5274   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813   -1.3532    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.3226    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409   -0.4933    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    0.0483   -1.0576 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5895    1.4124   -1.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181   -0.1365   -1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    0.6871    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -1.5938   -0.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656    0.3405   -2.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8421    3.6460    0.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    3.0742    2.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619    3.8946    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5104    2.0656    1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9585    1.5702    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7534    1.8053    2.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4144    2.3869    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4031   -2.0249    0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4747   -4.2219   -0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141    0.0090    1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511   -1.5722    0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776   -0.4479   -1.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3203    1.8707   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    0.0729    0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    1.5554    0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194    1.1573   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894   -2.2401   -1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591   -1.7516   -1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6815   -1.9024    0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    0.8222   -2.2209 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  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 15  3  1  0
 14  8  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  7 27  1  0
  7 28  1  0
  7 29  1  0
  9 30  1  0
 10 31  1  0
 16 32  1  0
 16 33  1  0
 17 34  1  6
 18 35  1  0
 20 36  1  0
 20 37  1  0
 20 38  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END


  Mrv1652309092220092D          

 22 23  0  0  1  0            999 V2000
   -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
    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
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    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
    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
    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 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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   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
   -0.1105   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    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  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  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  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288444

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C=CC(=O)OC2=C1C[C@@H](O)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1

> <INCHI_KEY>
JVCJUTNJQMKKCK-CYBMUJFWSA-N

> <FORMULA>
C16H20O6

> <MOLECULAR_WEIGHT>
308.33

> <EXACT_MASS>
308.125988364

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
31.54385853672938

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-chromen-2-one

> <JCHEM_LOGP>
1.0561452726666662

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.255867434763928

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.686665128762005

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0941121628433326

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
81.06540000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   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  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -3.080   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  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.206  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.874  -6.930   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334  -8.470   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    8   15                                                  
CONECT   15   14    3   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀O₆

Average Mass

308.3300 Da

Monoisotopic Mass

308.12599 Da

IUPAC Name

8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-chromen-2-one

Traditional Name

8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C=CC(=O)OC2=C1C[C@@H](O)C(C)(C)O

InChI Identifier

InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1

InChI Key

JVCJUTNJQMKKCK-CYBMUJFWSA-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
Merrillia caloxylon	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Not Available

Direct Parent

Coumarins and derivatives

Alternative Parents

Substituents

Coumarin
Benzopyran
1-benzopyran
Anisole
Alkyl aryl ether
Pyranone
Pyran
Benzenoid
Tertiary alcohol
Heteroaromatic compound
Secondary alcohol
1,2-diol
Lactone
Oxacycle
Ether
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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	1.06	ChemAxon
pKa (Strongest Acidic)	13.69	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	81.07 m³·mol⁻¹	ChemAxon
Polarizability	31.54 Å³	ChemAxon
Number of Rings	2	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

C00050957

Chemspider ID

154126

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

176970

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yan QS, Zhang S, Wang YJ, Xiao WL, Rao GX: [Studies on chemical constituents of Peucedanum delavayi]. Zhong Yao Cai. 2008 Aug;31(8):1157-9. [PubMed:19112893 ]
Ma W, Ali I, Li Y, Hussain H, Zhao H, Sun X, Xie L, Cui L, Wang D: A Simple and Efficient Two-Dimensional High-Speed Counter-Current Chromatography Linear Gradient and Isocratic Elution Modes for the Preparative Separation of Coumarins from Roots of Toddalia asiatica (Linn.) Lam. Molecules. 2021 Oct 2;26(19). pii: molecules26195986. doi: 10.3390/molecules26195986. [PubMed:34641527 ]
Teshima N, Yamada H, Ju-ichi M, Uji T, Kinoshita T, Ito C: Coumarins from Murraya paniculata var. zollingeri endemic to the Timor Islands. Nat Prod Commun. 2015 Feb;10(2):309-12. [PubMed:25920269 ]
Dondon R, Bourgeois P, Fery-Forgues S: A new bicoumarin from the leaves and stems of Triphasia trifolia. Fitoterapia. 2006 Feb;77(2):129-33. doi: 10.1016/j.fitote.2005.11.006. Epub 2006 Jan 20. [PubMed:16431036 ]
Chen KS, Wu CC, Chang FR, Chia YC, Chiang MY, Wang WY, Wu YC: Bioactive coumarins from the leaves of Murraya omphalocarpa. Planta Med. 2003 Jul;69(7):654-7. doi: 10.1055/s-2003-41112. [PubMed:12898423 ]
LOTUS database [Link]

Showing NP-Card for 8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one (NP0288444)

MOL for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

3D MOL for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

3D SDF for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

3D-SDF for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

PDB for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

3D PDB for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

SMILES for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

INCHI for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

Structure for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)

3D Structure for NP0288444 (8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one)