NP-MRD: Showing NP-Card for 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol (NP0220015)

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Record Information

Version

1.0

Created at

2022-09-05 21:12:30 UTC

Updated at

2022-09-05 21:12:30 UTC

NP-MRD ID

NP0220015

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol

Description

Heterophylol belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Heterophylol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Heterophylol has been detected, but not quantified in, fruits. 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol is found in Artocarpus integer and Artocarpus heterophyllus. This could make heterophylol a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 05061312242D          

 30 33  0  0  0  0            999 V2000
    4.1463    3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4966    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9565    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    2.1275    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
    3.6062    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744   -0.2111    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
    1.4459    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6062   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6864    2.9071    0.0000 C   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
    3.3362    1.1921    0.0000 C   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
    2.5261    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2560    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7961   -0.3671    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
    0.6358    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    0.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6864    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261   -1.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 15  1  1  0  0  0  0
 15  2  1  0  0  0  0
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 16 11  2  0  0  0  0
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 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 19 17  2  0  0  0  0
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 28 23  1  0  0  0  0
 29  6  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
 30 26  1  0  0  0  0
M  END

     RDKit          3D

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    1.6964    0.0213    1.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723   -0.2022    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668   -0.7698    1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9545   -0.6244    1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5404    0.0973    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9195    0.2403    0.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7307    0.6660   -0.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3633    0.5289   -0.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5562    1.1160   -1.8885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607    0.6487   -2.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1913   -0.5593   -3.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5336    1.7780   -2.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0527   -1.4656    0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1765   -1.3633    1.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4340   -0.4863   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061312242D          

 30 33  0  0  0  0            999 V2000
    4.1463    3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4966    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9565    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7159   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    2.1275    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
    3.6062    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744   -0.2111    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
    1.4459    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5261    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3347    0.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6864    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261   -1.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  7  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0220015

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2CC3C(CC2=C1CC=C(C)C)C(C)(C)OC1=C3C=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3

> <INCHI_KEY>
VDNFSSVVXBUKRX-UHFFFAOYSA-N

> <FORMULA>
C26H32O4

> <MOLECULAR_WEIGHT>
408.5299

> <EXACT_MASS>
408.230059512

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
46.894158953627205

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-6H-5-oxatetraphen-3-ol

> <ALOGPS_LOGP>
6.22

> <JCHEM_LOGP>
5.942333942999999

> <ALOGPS_LOGS>
-5.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.762502498834097

> <JCHEM_PKA_STRONGEST_BASIC>
-4.375811008926872

> <JCHEM_POLAR_SURFACE_AREA>
47.92

> <JCHEM_REFRACTIVITY>
120.99309999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.78e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol

> <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       7.740   6.591   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.260   5.718   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.508   4.762   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.637   5.410   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.252   2.807   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.203  -2.431   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.244   3.971   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.838  -0.685   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.732   3.680   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.326  -0.394   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.342   1.934   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.699   0.188   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.707   3.098   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.732  -0.394   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.748   5.427   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.846   0.479   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.228   2.225   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.179   1.061   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.715   1.934   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.691   1.352   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.211   0.479   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.195   2.807   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.236   1.061   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.219  -0.685   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.830   2.225   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.187   3.971   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -4.358   0.188   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.748   1.352   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.715  -2.140   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.326   3.680   0.000  0.00  0.00           O+0
CONECT    1   15                                                            
CONECT    2   15                                                            
CONECT    3   26                                                            
CONECT    4   26                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7    9   15                                                       
CONECT    8   10   16                                                       
CONECT    9    7   17                                                       
CONECT   10    8   18                                                       
CONECT   11   16   25                                                       
CONECT   12   20   21                                                       
CONECT   13   19   22                                                       
CONECT   14   23   24                                                       
CONECT   15    1    2    7                                                  
CONECT   16    8   11   27                                                  
CONECT   17    9   19   23                                                  
CONECT   18   10   20   25                                                  
CONECT   19   13   17   21                                                  
CONECT   20   12   18   22                                                  
CONECT   21   12   19   24                                                  
CONECT   22   13   20   26                                                  
CONECT   23   14   17   28                                                  
CONECT   24   14   21   29                                                  
CONECT   25   11   18   30                                                  
CONECT   26    3    4   22   30                                             
CONECT   27   16                                                            
CONECT   28    5   23                                                       
CONECT   29    6   24                                                       
CONECT   30   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

View in JSmol

Synonyms

Value	Source
6a,7,12,12a-Tetrahydro-9,11-dimethoxy-6,6-dimethyl-8-(3-methyl-2-butenyl)-6H-benzo[b]naphtho[2,3-D]pyran-3-ol, 9ci	HMDB

Chemical Formula

C₂₆H₃₂O₄

Average Mass

408.5299 Da

Monoisotopic Mass

408.23006 Da

IUPAC Name

9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-6H-5-oxatetraphen-3-ol

Traditional Name

9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2CC3C(CC2=C1CC=C(C)C)C(C)(C)OC1=C3C=CC(O)=C1

InChI Identifier

InChI=1S/C26H32O4/c1-15(2)7-9-17-19-13-22-20(12-21(19)24(29-6)14-23(17)28-5)18-10-8-16(27)11-25(18)30-26(22,3)4/h7-8,10-11,14,20,22,27H,9,12-13H2,1-6H3

InChI Key

VDNFSSVVXBUKRX-UHFFFAOYSA-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
Artocarpus champeden	LOTUS Database	35616633
Artocarpus heterophyllus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
2,2-dimethyl-1-benzopyran
Chromane
Benzopyran
1-benzopyran
Tetralin
Naphthalene
Anisole
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Pyran
Ether
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organooxygen 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	6.22	ALOGPS
logP	5.94	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	9.76	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	47.92 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	120.99 m³·mol⁻¹	ChemAxon
Polarizability	46.89 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0041126

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021008

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

15227962

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol (NP0220015)

MOL for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

3D MOL for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

3D SDF for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

3D-SDF for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

PDB for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

3D PDB for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

SMILES for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

INCHI for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

Structure for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)

3D Structure for NP0220015 (9,11-dimethoxy-6,6-dimethyl-8-(3-methylbut-2-en-1-yl)-6a,7,12,12a-tetrahydro-5-oxatetraphen-3-ol)