NP-MRD: Showing NP-Card for (3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one (NP0222305)

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Record Information

Version

2.0

Created at

2022-09-06 00:06:30 UTC

Updated at

2022-09-06 00:06:30 UTC

NP-MRD ID

NP0222305

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one

Description

EMycin E, also known as erythroped or monomycin, belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. (3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one is found in Streptomyces griseoincarnatus. (3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one was first documented in 1999 (PMID: 10927402). Based on a literature review very few articles have been published on EMycin E.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 44  0  0  0  0  0  0  0  0999 V2000
    4.3652    1.7499   -1.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    0.9390   -1.0676 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3059    1.8288   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3251    1.0386    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830    1.5696    1.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -0.3871    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046   -1.1228   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2565   -2.4745   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523   -3.1149   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385   -2.4433    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133   -3.1031    0.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -1.0832    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352   -0.3532    1.0796 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0216   -1.3738    1.5547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2763   -0.8229    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2852    0.0871    0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3135    0.5804   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6347    0.2638   -0.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0518    1.4150   -1.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7531    1.7389   -1.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7301    1.2016   -0.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347    0.3672    0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488   -0.3490   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    1.0706   -1.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6974    2.3270   -0.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253    2.4632   -2.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621    0.6642   -1.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    2.4058    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7703    2.5254   -0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131   -2.9847   -0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0538   -4.1901   -0.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -4.0774    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.1866    2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0675   -1.5941    1.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4392   -0.2110    2.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3849    0.6344   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8507    1.8237   -2.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236    2.4023   -2.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522    1.4768   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789   -0.1897    0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244   -0.8850   -1.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7 23  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 23  2  1  0
 22 13  1  0
 12  6  1  0
 22 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
 23 40  1  0
 23 41  1  0
  8 30  1  0
  9 31  1  0
 11 32  1  0
 13 33  1  1
 15 34  1  0
 15 35  1  0
 18 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
M  END


  Mrv1652309062202062D          

 23 26  0  0  1  0            999 V2000
   -0.9485    1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415    1.2032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1134    0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753   -0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    0.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695    2.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765    2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314    1.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    1.1302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -0.0960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0494   -0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -1.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3189   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334   -1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334   -2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334    0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3189   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    1.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 16 22  1  0  0  0  0
 13 22  1  0  0  0  0
  7 23  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0222305

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CC(=O)C2=C(C1)C=CC(O)=C2[C@@H]1OCC2=C(O)C=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O4/c1-10-7-11-5-6-15(21)18(17(11)16(22)8-10)19-12-3-2-4-14(20)13(12)9-23-19/h2-6,10,19-21H,7-9H2,1H3/t10-,19+/m0/s1

> <INCHI_KEY>
PSIRSIGHIADHPZ-APBUJDDRSA-N

> <FORMULA>
C19H18O4

> <MOLECULAR_WEIGHT>
310.349

> <EXACT_MASS>
310.12050906

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.664125516335005

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S)-7-hydroxy-8-[(1R)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-1,2,3,4-tetrahydronaphthalen-1-one

> <JCHEM_LOGP>
3.372257346333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.044223579364308

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.2945830402323

> <JCHEM_PKA_STRONGEST_BASIC>
-4.241079220528508

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
87.24159999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-7-hydroxy-8-[(1R)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2H-naphthalen-1-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  C   UNK     0      -1.771   2.566   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.264   2.246   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.212   0.781   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.718   0.461   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.194  -1.003   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.748   1.606   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.273   3.070   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.303   4.215   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.809   3.895   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.285   2.430   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.792   2.110   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.255   1.286   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.731  -0.179   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.826  -1.425   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.731  -2.671   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.195  -2.195   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.529  -2.965   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.529  -4.505   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.863  -2.195   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.863  -0.655   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.529   0.115   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.195  -0.655   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.766   3.391   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   12                                                  
CONECT    7    6    8   23                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    6   13                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   16   13                                                  
CONECT   23    7    2                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
Erythroped	MeSH
Monomycin	MeSH
Ethylsuccinate, erythromycin	MeSH
e-Mycin e	MeSH
EryPed	MeSH
Erythromycin ethylsuccinate	MeSH
Ethyl succinate, eyrthromycin	MeSH
Eyrthromycin ethyl succinate	MeSH
Pediamycin	MeSH
Succinate, eyrthromycin ethyl	MeSH
Wyamycin e	MeSH

Chemical Formula

C₁₉H₁₈O₄

Average Mass

310.3490 Da

Monoisotopic Mass

310.12051 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1CC(=O)C2=C(C1)C=CC(O)=C2[C@@H]1OCC2=C(O)C=CC=C12

InChI Identifier

InChI=1S/C19H18O4/c1-10-7-11-5-6-15(21)18(17(11)16(22)8-10)19-12-3-2-4-14(20)13(12)9-23-19/h2-6,10,19-21H,7-9H2,1H3/t10-,19+/m0/s1

InChI Key

PSIRSIGHIADHPZ-APBUJDDRSA-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
Streptomyces griseoincarnatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Tetralins

Sub Class

Not Available

Direct Parent

Tetralins

Alternative Parents

Substituents

Tetralin
Isocoumaran
Aryl ketone
Aryl alkyl ketone
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Ketone
Oxacycle
Organoheterocyclic compound
Dialkyl ether
Ether
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00021801

Chemspider ID

78442755

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101038809

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Walker M, Pohl E, Herbst-Irmer R, Gerlitz M, Rohr J, Sheldrick GM: Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers. Acta Crystallogr B. 1999 Aug 1;55(Pt 4):607-616. doi: 10.1107/s0108768199003948. [PubMed:10927402 ]
LOTUS database [Link]

Showing NP-Card for (3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one (NP0222305)

MOL for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

3D MOL for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

3D SDF for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

3D-SDF for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

PDB for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

3D PDB for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

SMILES for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

INCHI for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

Structure for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)

3D Structure for NP0222305 ((3s)-7-hydroxy-8-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]-3-methyl-3,4-dihydro-2h-naphthalen-1-one)