NP-MRD: Showing NP-Card for 4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione (NP0259774)

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Record Information

Version

1.0

Created at

2022-09-08 01:45:11 UTC

Updated at

2022-09-08 01:45:11 UTC

NP-MRD ID

NP0259774

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione

Description

Albatrellin belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. 4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione is found in Albatrellus confluens. It was first documented in 2002 (PMID: 35412727). Based on a literature review a significant number of articles have been published on Albatrellin (PMID: 18357556) (PMID: 36099392) (PMID: 31661213) (PMID: 24858140).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082203452D          

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M  END

     RDKit          3D

106108  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309082203452D          

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    2.8579   -1.6500    0.0000 O   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
  2  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 36 37  2  0  0  0  0
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 39 40  2  0  0  0  0
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 36 43  1  0  0  0  0
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 19 45  2  0  0  0  0
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 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 16 49  1  0  0  0  0
 49 50  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0259774

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C2=C(CCC\C(C)=C\CC3=C(O)C=C(C)C=C3O)C=C(O2)C=C(C)C)=C(C)C(=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C44H56O6/c1-27(2)13-10-14-29(5)15-11-16-30(6)20-22-37-42(48)40(33(9)41(47)43(37)49)44-34(26-35(50-44)23-28(3)4)18-12-17-31(7)19-21-36-38(45)24-32(8)25-39(36)46/h13,15,19-20,23-26,45-46,48H,10-12,14,16-18,21-22H2,1-9H3/b29-15+,30-20+,31-19+

> <INCHI_KEY>
LCOOCCCTANLRMU-FGESODLRSA-N

> <FORMULA>
C44H56O6

> <MOLECULAR_WEIGHT>
680.926

> <EXACT_MASS>
680.407689523

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
81.80578223555771

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{3-[(4E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione

> <JCHEM_LOGP>
11.948532879

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.193015312041895

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.222369275605426

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8295440226145767

> <JCHEM_POLAR_SURFACE_AREA>
107.97000000000001

> <JCHEM_REFRACTIVITY>
212.02330000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-{3-[(4E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.004 -13.860   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  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.581 -10.145   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.105 -11.610   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.010 -12.856   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.541 -12.695   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.447 -13.941   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.168 -11.288   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.565 -11.610   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.089 -10.145   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.624  -9.669   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.480 -10.700   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.015 -10.224   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.129 -11.254   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.809 -12.761   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.594 -10.778   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.738 -11.809   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.203 -11.333   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.347 -12.363   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -6.027 -13.870   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -7.812 -11.888   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -8.132 -10.381   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -9.597  -9.905   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -6.988  -9.351   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -5.523  -9.827   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -4.379  -8.796   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   49                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   45                                                  
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   22   28                                                       
CONECT   28   27   20   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   43                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   36   44                                                  
CONECT   44   43                                                            
CONECT   45   19   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   16   50                                                  
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₄H₅₆O₆

Average Mass

680.9260 Da

Monoisotopic Mass

680.40769 Da

IUPAC Name

4-{3-[(4E)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C2=C(CCC\C(C)=C\CC3=C(O)C=C(C)C=C3O)C=C(O2)C=C(C)C)=C(C)C(=O)C1=O

InChI Identifier

InChI=1S/C44H56O6/c1-27(2)13-10-14-29(5)15-11-16-30(6)20-22-37-42(48)40(33(9)41(47)43(37)49)44-34(26-35(50-44)23-28(3)4)18-12-17-31(7)19-21-36-38(45)24-32(8)25-39(36)46/h13,15,19-20,23-26,45-46,48H,10-12,14,16-18,21-22H2,1-9H3/b29-15+,30-20+,31-19+

InChI Key

LCOOCCCTANLRMU-FGESODLRSA-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
Albatrellus confluens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Furanoid fatty acid
M-cresol
O-benzoquinone
Quinone
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Hydroxy fatty acid
Phenol
Toluene
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Furan
Cyclic ketone
Ketone
Oxacycle
Enol
Organoheterocyclic compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	11.95	ChemAxon
pKa (Strongest Acidic)	4.22	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	107.97 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	212.02 m³·mol⁻¹	ChemAxon
Polarizability	81.81 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

17276929

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16119735

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yang XL, Qin C, Wang F, Dong ZJ, Liu JK: A new meroterpenoid pigment from the basidiomycete Albatrellus confluens. Chem Biodivers. 2008 Mar;5(3):484-9. doi: 10.1002/cbdv.200890047. [PubMed:18357556 ]
Freebody J: "The Root of All Evil is Inactivity": The Response of French Psychiatrists to New Approaches to Patient Work and Occupation, 1918-1939. 2021. [PubMed:36099392 ]
Authors unspecified: Childhood Pulmonary Inflammatory Myofibroblastic Tumors Treatment (PDQ(R)): Health Professional Version. 2002. [PubMed:35412727 ]
Authors unspecified: Childhood Adrenocortical Carcinoma Treatment (PDQ(R)): Health Professional Version. 2002. [PubMed:31661213 ]
Liu LY, Li ZH, Wang GQ, Wei K, Dong ZJ, Feng T, Li GT, Li Y, Liu JK: Nine new farnesylphenols from the basidiomycete albatrellus caeruleoporus. Nat Prod Bioprospect. 2014 Apr;4(2):119-28. doi: 10.1007/s13659-014-0015-5. Epub 2014 Apr 23. [PubMed:24858140 ]
LOTUS database [Link]

Showing NP-Card for 4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione (NP0259774)

MOL for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

3D MOL for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

3D SDF for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

3D-SDF for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

PDB for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

3D PDB for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

SMILES for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

INCHI for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

Structure for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)

3D Structure for NP0259774 (4-{3-[(4e)-6-(2,6-dihydroxy-4-methylphenyl)-4-methylhex-4-en-1-yl]-5-(2-methylprop-1-en-1-yl)furan-2-yl}-5-hydroxy-3-methyl-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-3,5-diene-1,2-dione)