NP-MRD: Showing NP-Card for (5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene (NP0286077)

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Record Information

Version

2.0

Created at

2022-09-09 14:30:29 UTC

Updated at

2022-09-09 14:30:29 UTC

NP-MRD ID

NP0286077

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene

Description

DEPENDENSIN belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. (5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene is found in Uvaria dependens. (5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene was first documented in 2011 (PMID: 21824783). Based on a literature review a small amount of articles have been published on DEPENDENSIN (PMID: 33416018) (PMID: 27989370).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092216302D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092216302D          

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    2.9705   -1.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4009   -2.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9410   -3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608   -4.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -5.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -4.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -5.0150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1604   -5.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -6.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -7.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -7.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -6.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502   -5.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -4.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0802   -4.5473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8101   -5.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -6.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -6.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -7.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3502   -7.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -6.4182    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 35 28  1  1  0  0  0
 14 35  1  0  0  0  0
 35 36  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 39 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286077

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2[C@@H]3OC4=C(OC)C(OC)=CC(OC)=C4[C@@H](\C=C\C4=CC=CC=C4)[C@@H]3[C@H](OC2=C1OC)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H36O8/c1-37-24-19-26(39-3)32(41-5)35-28(24)23(18-17-21-13-9-7-10-14-21)29-31(22-15-11-8-12-16-22)43-36-30(34(29)44-35)25(38-2)20-27(40-4)33(36)42-6/h7-20,23,29,31,34H,1-6H3/b18-17+/t23-,29-,31-,34-/m1/s1

> <INCHI_KEY>
KBNCXSMEPKTSAW-QSVOBOOJSA-N

> <FORMULA>
C36H36O8

> <MOLECULAR_WEIGHT>
596.676

> <EXACT_MASS>
596.241018119

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
64.52140931103622

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5aR,11S,11aR,12S)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(E)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene

> <JCHEM_LOGP>
6.283979984333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.020224588891969

> <JCHEM_POLAR_SURFACE_AREA>
73.84000000000002

> <JCHEM_REFRACTIVITY>
167.24219999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5aR,11S,11aR,12S)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(E)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.512  -2.377   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.016  -3.832   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.008  -4.996   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.512  -6.451   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.504  -7.615   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.008  -9.070   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.520  -9.361   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.008  -7.324   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.512  -5.869   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.504  -4.705   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.008  -3.250   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.000  -2.086   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.024  -5.578   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.033  -6.742   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.545  -6.451   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.049  -4.996   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.041  -3.832   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.545  -2.377   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.561  -4.705   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.569  -5.869   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.082  -5.578   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      11.090  -6.742   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.065  -7.324   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.073  -8.488   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.569  -9.943   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.553  -7.615   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.049  -9.070   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.537  -9.361   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.033 -10.817   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.041 -11.981   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.537 -13.436   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.024 -13.727   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.016 -12.563   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.520 -11.108   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.529  -8.197   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.016  -8.488   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.512  -9.943   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.000 -10.234   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.504 -11.690   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.504 -12.854   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.000 -14.309   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -1.512 -14.600   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.520 -13.436   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.016 -11.981   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   36                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    9   14                                                       
CONECT   14   13   15   35                                                  
CONECT   15   14   16   26                                                  
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   15   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   28   14   36                                                  
CONECT   36   35    8   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   39                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₆O₈

Average Mass

596.6760 Da

Monoisotopic Mass

596.24102 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2[C@@H]3OC4=C(OC)C(OC)=CC(OC)=C4[C@@H](\C=C\C4=CC=CC=C4)[C@@H]3[C@H](OC2=C1OC)C1=CC=CC=C1

InChI Identifier

InChI=1S/C36H36O8/c1-37-24-19-26(39-3)32(41-5)35-28(24)23(18-17-21-13-9-7-10-14-21)29-31(22-15-11-8-12-16-22)43-36-30(34(29)44-35)25(38-2)20-27(40-4)33(36)42-6/h7-20,23,29,31,34H,1-6H3/b18-17+/t23-,29-,31-,34-/m1/s1

InChI Key

KBNCXSMEPKTSAW-QSVOBOOJSA-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
Uvaria dependens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

8-O-methylated flavonoids

Alternative Parents

Substituents

5-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
8-methoxyflavonoid-skeleton
Flavan
Chromane
Benzopyran
1-benzopyran
Anisole
Styrene
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Ether
Organoheterocyclic compound
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00008798

Chemspider ID

26610357

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23583983

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Joshi N, Hada R, Gupta S, Khan J, Dobrowolski J, Dhar PK, Kumar N, Singh S: Highly potent anti-malarial activity of benzopyrano(4,3-b)benzopyran derivatives and in silico interaction analysis with putative target Plasmodium falciparum lactate dehydrogenase. J Biomol Struct Dyn. 2022 Jul;40(11):5159-5174. doi: 10.1080/07391102.2020.1868336. Epub 2021 Jan 8. [PubMed:33416018 ]
Salae AW, Chairerk O, Sukkoet P, Chairat T, Prawat U, Tuntiwachwuttikul P, Chalermglin P, Ruchirawat S: Antiplasmodial dimeric chalcone derivatives from the roots of Uvaria siamensis. Phytochemistry. 2017 Mar;135:135-143. doi: 10.1016/j.phytochem.2016.12.009. Epub 2016 Dec 16. [PubMed:27989370 ]
Devakaram R, Black DS, Andrews KT, Fisher GM, Davis RA, Kumar N: Synthesis and antimalarial evaluation of novel benzopyrano[4,3-b]benzopyran derivatives. Bioorg Med Chem. 2011 Sep 1;19(17):5199-206. doi: 10.1016/j.bmc.2011.07.009. Epub 2011 Jul 23. [PubMed:21824783 ]
LOTUS database [Link]

Showing NP-Card for (5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene (NP0286077)

MOL for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

3D MOL for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

3D SDF for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

3D-SDF for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

PDB for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

3D PDB for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

SMILES for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

INCHI for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

Structure for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)

3D Structure for NP0286077 ((5ar,11s,11ar,12s)-1,3,4,6,8,9-hexamethoxy-11-phenyl-12-[(1e)-2-phenylethenyl]-5a,11,11a,12-tetrahydro-5,10-dioxatetraphene)