NP-MRD: Showing NP-Card for 9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one (NP0141360)

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Record Information

Version

1.0

Created at

2022-09-01 19:37:01 UTC

Updated at

2022-09-01 19:37:01 UTC

NP-MRD ID

NP0141360

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one

Description

Japoangelol A belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group. 9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one is found in Angelica japonica. It was first documented in 2022 (PMID: 36044365). Based on a literature review a significant number of articles have been published on Japoangelol A (PMID: 36043368) (PMID: 36038174) (PMID: 36030880) (PMID: 36029144).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309012221372D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309012221372D          

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    2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    4.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    4.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    5.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    6.6000    0.0000 C   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  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  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  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 27 42  1  0  0  0  0
 36 42  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0141360

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCC\C=C/C(OC(C)(C)C(O)COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2)C#CC#CC(O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C34H40O8/c1-6-8-9-10-11-12-13-17-25(18-15-14-16-24(35)7-2)42-34(3,4)28(36)23-40-33-31-27(21-22-39-31)30(38-5)26-19-20-29(37)41-32(26)33/h7,13,17,19-22,24-25,28,35-36H,2,6,8-12,23H2,1,3-5H3/b17-13-

> <INCHI_KEY>
DUYUEYQXMSACGP-LGMDPLHJSA-N

> <FORMULA>
C34H40O8

> <MOLECULAR_WEIGHT>
576.686

> <EXACT_MASS>
576.272318248

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
64.25683261113403

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-(2-hydroxy-3-{[(9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-one

> <ALOGPS_LOGP>
6.17

> <JCHEM_LOGP>
6.540648476

> <ALOGPS_LOGS>
-4.67

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.5124193963049

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.910079530090563

> <JCHEM_PKA_STRONGEST_BASIC>
-2.850201487371879

> <JCHEM_POLAR_SURFACE_AREA>
107.59000000000002

> <JCHEM_REFRACTIVITY>
163.7435

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-(2-hydroxy-3-{[(9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-22         0                                  
HETATM    1  C   UNK     0      16.004  16.940   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.670  16.170   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.670  14.630   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      16.004  13.860   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      13.337  13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003  13.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  12.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.337   9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.670   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.004   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.338   8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.672   9.240   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.668  11.550   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.565  12.114   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.105   9.446   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  10.010   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       1.334  10.010   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.000  10.780   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.334  10.010   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.654   8.504   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -3.185   8.343   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.812   9.750   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -2.667  12.320   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -4.001  13.090   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -5.335  12.320   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.334  14.630   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -0.000  15.400   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.334  14.630   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.667  15.400   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.000  12.320   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19    9   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   42                                                  
CONECT   28   27   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   28   33                                                  
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   42                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   27   36                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₀O₈

Average Mass

576.6860 Da

Monoisotopic Mass

576.27232 Da

IUPAC Name

9-(2-hydroxy-3-{[(9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-one

Traditional Name

9-(2-hydroxy-3-{[(9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one

CAS Registry Number

Not Available

SMILES

CCCCCCC\C=C/C(OC(C)(C)C(O)COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2)C#CC#CC(O)C=C

InChI Identifier

InChI=1S/C34H40O8/c1-6-8-9-10-11-12-13-17-25(18-15-14-16-24(35)7-2)42-34(3,4)28(36)23-40-33-31-27(21-22-39-31)30(38-5)26-19-20-29(37)41-32(26)33/h7,13,17,19-22,24-25,28,35-36H,2,6,8-12,23H2,1,3-5H3/b17-13-

InChI Key

DUYUEYQXMSACGP-LGMDPLHJSA-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
Angelica japonica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Furanocoumarins

Direct Parent

5-methoxypsoralens

Alternative Parents

Substituents

5-methoxypsoralen
Long chain fatty alcohol
Benzopyran
1-benzopyran
Benzofuran
Fatty alcohol
Anisole
Phenol ether
Alkyl aryl ether
Pyranone
Fatty acyl
Benzenoid
Pyran
Furan
Heteroaromatic compound
Lactone
Secondary alcohol
Organoheterocyclic compound
Ether
Dialkyl ether
Oxacycle
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organic oxide
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	6.17	ALOGPS
logP	6.54	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	12.91	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	107.59 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	163.74 m³·mol⁻¹	ChemAxon
Polarizability	64.26 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

8568811

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10393369

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Belik AA, Khalyavin DD, Matsushita Y, Yamaura K: Triple A-Site Cation Ordering in the Ferrimagnetic Y2CuGaMn4O12 Perovskite. Inorg Chem. 2022 Sep 12;61(36):14428-14435. doi: 10.1021/acs.inorgchem.2c02343. Epub 2022 Aug 31. [PubMed:36044365 ]
Siwach P, Sikarwar P, Rajput SA, Antharjanam S, Chandiran AK: The effect of halogenated spacer cations on structural symmetry-breaking in 2D halide double perovskites. Chem Commun (Camb). 2022 Aug 31. doi: 10.1039/d2cc02747j. [PubMed:36043368 ]
Abukhadijah HJ, Turk-Adawi KI, Dewart N, Grace SL: Qualitative study measuring the usability of the International Cardiac Rehabilitation Registry. BMJ Open. 2022 Aug 29;12(8):e064255. doi: 10.1136/bmjopen-2022-064255. [PubMed:36038174 ]
Bojko J, Walters E, Burgess A, Behringer DC: Rediscovering "Baculovirus-A" (Johnson, 1976): The complete genome of 'Callinectes sapidus nudivirus'. J Invertebr Pathol. 2022 Aug 27;194:107822. doi: 10.1016/j.jip.2022.107822. [PubMed:36030880 ]
Menekse Beser D, Oluklu D, Uyan Hendem D, Yildirim M, Tugrul Ersak D, Goncu Ayhan S, Sahin D: Fetal echocardiographic evaluation before and after nifedipine treatment in preterm labor. Echocardiography. 2022 Sep;39(9):1245-1251. doi: 10.1111/echo.15444. Epub 2022 Aug 27. [PubMed:36029144 ]
LOTUS database [Link]

Showing NP-Card for 9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one (NP0141360)

MOL for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

3D MOL for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

3D SDF for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

3D-SDF for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

PDB for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

3D PDB for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

SMILES for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

INCHI for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

Structure for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)

3D Structure for NP0141360 (9-(2-hydroxy-3-{[(9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one)