NP-MRD: Showing NP-Card for 5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol (NP0298668)

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Record Information

Version

2.0

Created at

2022-09-10 10:04:31 UTC

Updated at

2022-09-10 10:04:31 UTC

NP-MRD ID

NP0298668

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol

Description

Omega-Hydroxymoracin N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Omega-Hydroxymoracin N is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, omega-Hydroxymoracin N has been detected, but not quantified in, fruits. 5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol is found in Morus alba. This could make omega-hydroxymoracin N a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.5738    0.8371    1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8694    0.6330    0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2049   -0.4870    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -0.8665   -0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067   -1.0617   -0.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0422   -0.1390   -0.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2973   -0.3362   -0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402    0.3862   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4857   -0.3613   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8786    0.0506   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8271   -0.7694    0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1691   -0.4382    0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0623   -1.3347    1.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5497    0.7512   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6339    1.6047   -0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293    2.8106   -1.2641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864    1.2383   -0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439   -1.4448    0.3244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6471   -1.4914    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -2.4573    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6382   -2.2173    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109   -3.1439    0.5212 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9577    1.6412   -0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4452    2.8843   -0.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8348    1.8911    2.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    0.4949    2.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5209    0.2516    1.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708   -1.2302    1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5242   -0.2334   -1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -1.8696   -1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3169    0.7643   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5185    1.3484   -1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5294   -1.7137    0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2739   -1.2629    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5977    1.0380   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0853    3.6779   -0.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5646    1.8878   -1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0154   -3.3605    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363   -3.9872    0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6059    1.3761   -1.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674    1.8502   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    2.7887    0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 23  1  0
 23 24  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7 19  2  0
 19 18  1  0
 18  9  1  0
  9  8  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  5  1  0
  8  7  1  0
 17 10  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 23 40  1  0
 23 41  1  0
 24 42  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  6 31  1  0
  8 32  1  0
 11 33  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 20 38  1  0
 22 39  1  0
M  END


  Mrv0541 05061312332D          

 24 26  0  0  0  0            999 V2000
    3.4990   -1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
 11  1  1  0  0  0  0
 11  2  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 15  8  2  0  0  0  0
 16  6  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 17 12  1  0  0  0  0
 18  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 19 13  2  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0298668

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(CO)=C\CC1=CC2=C(OC(=C2)C2=CC(O)=CC(O)=C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O5/c1-11(10-20)2-3-12-4-13-7-18(24-19(13)9-17(12)23)14-5-15(21)8-16(22)6-14/h2,4-9,20-23H,3,10H2,1H3/b11-2-

> <INCHI_KEY>
GPKLNIVEGYWQJZ-FUQNDXKWSA-N

> <FORMULA>
C19H18O5

> <MOLECULAR_WEIGHT>
326.3432

> <EXACT_MASS>
326.115423686

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
35.84927122473772

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-{6-hydroxy-5-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol

> <ALOGPS_LOGP>
3.15

> <JCHEM_LOGP>
3.2366955799999992

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.963724292910792

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.289069619037733

> <JCHEM_PKA_STRONGEST_BASIC>
-2.725800693506362

> <JCHEM_POLAR_SURFACE_AREA>
94.06

> <JCHEM_REFRACTIVITY>
91.873

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{6-hydroxy-5-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.531  -2.547   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.198  -0.237   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.198   1.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.530   1.303   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.483   1.509   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.483   4.176   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.268   1.597   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.793   2.843   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.865  -0.237   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.531  -1.007   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.713   2.843   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.023   1.509   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.023   4.176   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.864   3.613   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.865   1.303   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.793   0.175   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.793   5.510   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.198   4.383   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -0.268   4.089   0.000  0.00  0.00           O+0
CONECT    1   11                                                            
CONECT    2    3   11                                                       
CONECT    3    2   12                                                       
CONECT    4   12   13                                                       
CONECT    5   14   15                                                       
CONECT    6   14   16                                                       
CONECT    7   13   18                                                       
CONECT    8   15   16                                                       
CONECT    9   17   19                                                       
CONECT   10   11   20                                                       
CONECT   11    1    2   10                                                  
CONECT   12    3    4   17                                                  
CONECT   13    4    7   19                                                  
CONECT   14    5    6   18                                                  
CONECT   15    5    8   21                                                  
CONECT   16    6    8   22                                                  
CONECT   17    9   12   23                                                  
CONECT   18    7   14   24                                                  
CONECT   19    9   13   24                                                  
CONECT   20   10                                                            
CONECT   21   15                                                            
CONECT   22   16                                                            
CONECT   23   17                                                            
CONECT   24   18   19                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
2-(4,5-Dichloro-6-oxo-1(6H)-pyridazinyl)-2-oxoacetamide	HMDB
5,3',5'-Trihydroxy-6-(4-hydroxy0-3-methyl-2(e)-butenyl)-2-arylbenzofuran	HMDB
W-Hydroxymoracin N	HMDB

Chemical Formula

C₁₉H₁₈O₅

Average Mass

326.3432 Da

Monoisotopic Mass

326.11542 Da

IUPAC Name

5-{6-hydroxy-5-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol

Traditional Name

5-{6-hydroxy-5-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol

CAS Registry Number

Not Available

SMILES

C\C(CO)=C\CC1=CC2=C(OC(=C2)C2=CC(O)=CC(O)=C2)C=C1O

InChI Identifier

InChI=1S/C19H18O5/c1-11(10-20)2-3-12-4-13-7-18(24-19(13)9-17(12)23)14-5-15(21)8-16(22)6-14/h2,4-9,20-23H,3,10H2,1H3/b11-2-

InChI Key

GPKLNIVEGYWQJZ-FUQNDXKWSA-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
Morus alba	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
2-phenylbenzofuran
Phenylbenzofuran
Benzofuran
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Furan
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary 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	3.15	ALOGPS
logP	3.24	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.29	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	94.06 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	91.87 m³·mol⁻¹	ChemAxon
Polarizability	35.85 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

HMDB0041299

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021216

KNApSAcK ID

C00019233

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

131753097

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol (NP0298668)

MOL for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

3D MOL for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

3D SDF for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

3D-SDF for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

PDB for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

3D PDB for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

SMILES for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

INCHI for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

Structure for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)

3D Structure for NP0298668 (5-{6-hydroxy-5-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-1-benzofuran-2-yl}benzene-1,3-diol)