NP-MRD: Showing NP-Card for 4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one (NP0321983)

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Record Information

Version

2.0

Created at

2022-09-12 00:29:04 UTC

Updated at

2022-09-12 00:29:04 UTC

NP-MRD ID

NP0321983

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one

Description

4,6-Dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-5-one belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. 4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one is found in Aspergillus rugulosus. 4,6-Dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-5-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241514172D          

 33 36  0  0  0  0            999 V2000
    7.1955   -3.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854   -2.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154   -2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3358   -2.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8453   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854   -0.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    1.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.5952    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  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  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
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 17 30  1  0  0  0  0
 24 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END


  Mrv1533004241514172D          

 33 36  0  0  0  0            999 V2000
    7.1955   -3.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854   -2.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154   -2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8949   -1.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3358   -2.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8453   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854   -0.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    1.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.5952    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  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  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
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 20  1  0  0  0  0
 14 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 17 30  1  0  0  0  0
 24 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0321983

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C)(C)C(O)CC1=CC=C(O)C2=C1OC1=C(C2=O)C2=C(OCC(C2O)C(C)=C)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O7/c1-12(2)15-11-32-24-13(3)9-17-20(21(24)22(15)29)23(30)19-16(27)8-7-14(25(19)33-17)10-18(28)26(4,5)31-6/h7-9,15,18,22,27-29H,1,10-11H2,2-6H3

> <INCHI_KEY>
QWNQVPWHVUVFIF-UHFFFAOYSA-N

> <FORMULA>
C26H30O7

> <MOLECULAR_WEIGHT>
454.519

> <EXACT_MASS>
454.199153306

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
49.30837370997121

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-5-one

> <ALOGPS_LOGP>
3.07

> <JCHEM_LOGP>
3.937197322666667

> <ALOGPS_LOGS>
-4.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.421535015288676

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.6734533712467

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3070713969956405

> <JCHEM_POLAR_SURFACE_AREA>
105.45

> <JCHEM_REFRACTIVITY>
124.36919999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.43e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2H-1,10-dioxatetraphen-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      13.432  -5.633   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      11.919  -5.342   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.415  -3.887   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.871  -3.382   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.960  -4.391   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.911  -2.431   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.919  -1.267   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.399  -2.140   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.895  -0.685   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.903   0.479   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.399   1.934   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.887   2.225   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.383   3.680   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.879   1.061   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.366   1.352   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.862   2.807   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.358   0.188   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.375  -1.558   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.383  -0.394   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.854  -2.431   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.342  -2.140   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  -3.304   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.838  -0.685   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.326  -0.394   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.179   1.061   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.830   2.225   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.342   1.934   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       3.350   3.098   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.846   0.479   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.326   3.680   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.187   3.971   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.334   4.844   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   20                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   30                                                  
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19    9   14                                                  
CONECT   21   18   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   17   24                                                  
CONECT   31   27   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₇

Average Mass

454.5190 Da

Monoisotopic Mass

454.19915 Da

IUPAC Name

4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1,10-dioxatetraphen-5-one

Traditional Name

4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2H-1,10-dioxatetraphen-5-one

CAS Registry Number

Not Available

SMILES

COC(C)(C)C(O)CC1=CC=C(O)C2=C1OC1=C(C2=O)C2=C(OCC(C2O)C(C)=C)C(C)=C1

InChI Identifier

InChI=1S/C26H30O7/c1-12(2)15-11-32-24-13(3)9-17-20(21(24)22(15)29)23(30)19-16(27)8-7-14(25(19)33-17)10-18(28)26(4,5)31-6/h7-9,15,18,22,27-29H,1,10-11H2,2-6H3

InChI Key

QWNQVPWHVUVFIF-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aspergillus rugulosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 4-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 4-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

4-prenylated xanthones

Alternative Parents

Substituents

4-prenylated xanthone
Pyranoxanthone
Chromone
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Ether
Dialkyl ether
Oxacycle
Alcohol
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
logP	3.07	ALOGPS
logP	3.94	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	8.67	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	124.37 m³·mol⁻¹	ChemAxon
Polarizability	49.31 Å³	ChemAxon
Number of Rings	4	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one (NP0321983)

MOL for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

3D MOL for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

3D SDF for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

3D-SDF for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

PDB for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

3D PDB for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

SMILES for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

INCHI for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

Structure for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)

3D Structure for NP0321983 (4,6-dihydroxy-9-(2-hydroxy-3-methoxy-3-methylbutyl)-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one)