NP-MRD: Showing NP-Card for 4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol (NP0211115)

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Record Information

Version

2.0

Created at

2022-09-05 09:14:17 UTC

Updated at

2022-09-05 09:14:18 UTC

NP-MRD ID

NP0211115

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol

Description

4-(5-{18-[5-(4-Hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. 4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol is found in Halichondria okadai. 4-(5-{18-[5-(4-Hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251503522D          

 52 53  0  0  0  0            999 V2000
   -2.8579  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1447  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.4328    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.1378    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0026   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1031  -11.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3285  -11.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
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 13 12  1  4  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  4  0  0  0
 19 20  2  0  0  0  0
 20 21  1  4  0  0  0
 21 22  2  0  0  0  0
 22 23  1  4  0  0  0
 23 24  2  0  0  0  0
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 26 24  1  4  0  0  0
 26 27  2  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 31 29  1  4  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  4  0  0  0
 41 42  1  0  0  0  0
 39 43  1  0  0  0  0
 37 44  1  0  0  0  0
 33 44  1  0  0  0  0
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 44 46  1  0  0  0  0
 34 47  1  0  0  0  0
 19 48  1  0  0  0  0
 15 49  1  0  0  0  0
 12 50  1  0  0  0  0
  7 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
M  END

     RDKit          3D

124125  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0211115

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CC1CC=C(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)=CCC(CC(C)=CCO)C2(C)C)C1(C)C)=CCO

> <INCHI_IDENTIFIER>
InChI=1S/C50H72O2/c1-37(19-15-21-39(3)23-29-47-43(7)25-27-45(49(47,9)10)35-41(5)31-33-51)17-13-14-18-38(2)20-16-22-40(4)24-30-48-44(8)26-28-46(50(48,11)12)36-42(6)32-34-52/h13-26,29-32,45-48,51-52H,27-28,33-36H2,1-12H3

> <INCHI_KEY>
BHONBYIDLOVJEW-UHFFFAOYSA-N

> <FORMULA>
C50H72O2

> <MOLECULAR_WEIGHT>
705.124

> <EXACT_MASS>
704.553231558

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
124

> <JCHEM_AVERAGE_POLARIZABILITY>
90.4762274408845

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol

> <ALOGPS_LOGP>
9.55

> <JCHEM_LOGP>
11.654183848666673

> <ALOGPS_LOGS>
-6.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.631054455176486

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.02899446384852

> <JCHEM_PKA_STRONGEST_BASIC>
-2.21704730140923

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
243.19480000000016

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.83e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
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HETATM    3  C   UNK     0      -6.668 -25.410   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335 -26.180   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -5.335 -27.720   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -8.002 -23.100   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.336 -23.870   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.336 -25.410   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.669 -26.180   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -12.003 -25.410   0.000  0.00  0.00           C+0
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HETATM   42  O   UNK     0     -30.675   3.850   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0     -29.341   1.540   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0     -25.340  -0.770   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     -24.524   0.536   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -23.801  -0.716   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -26.674  -4.620   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -18.672 -16.940   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0     -16.004 -21.560   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0     -10.669 -23.100   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0     -11.392 -21.740   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -9.946 -21.740   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8   50                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   50                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   49                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   48                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   44                                                  
CONECT   34   33   35   47                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   44                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   43                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   39                                                            
CONECT   44   37   33   45   46                                             
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47   34                                                            
CONECT   48   19                                                            
CONECT   49   15                                                            
CONECT   50   12    7   51   52                                             
CONECT   51   50                                                            
CONECT   52   50                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₀H₇₂O₂

Average Mass

705.1240 Da

Monoisotopic Mass

704.55323 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(CC1CC=C(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)=CCC(CC(C)=CCO)C2(C)C)C1(C)C)=CCO

InChI Identifier

InChI=1S/C50H72O2/c1-37(19-15-21-39(3)23-29-47-43(7)25-27-45(49(47,9)10)35-41(5)31-33-51)17-13-14-18-38(2)20-16-22-40(4)24-30-48-44(8)26-28-46(50(48,11)12)36-42(6)32-34-52/h13-26,29-32,45-48,51-52H,27-28,33-36H2,1-12H3

InChI Key

BHONBYIDLOVJEW-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
Halichondria okadai	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	9.55	ALOGPS
logP	11.65	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	16.03	ChemAxon
pKa (Strongest Basic)	-2.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	243.19 m³·mol⁻¹	ChemAxon
Polarizability	90.48 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol (NP0211115)

MOL for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

3D MOL for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

3D SDF for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

3D-SDF for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

PDB for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

3D PDB for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

SMILES for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

INCHI for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

Structure for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)

3D Structure for NP0211115 (4-(5-{18-[5-(4-hydroxy-2-methylbut-2-en-1-yl)-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-4,6,6-trimethylcyclohex-3-en-1-yl)-3-methylbut-2-en-1-ol)