NP-MRD: Showing NP-Card for n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid (NP0166635)

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Record Information

Version

2.0

Created at

2022-09-03 02:03:24 UTC

Updated at

2022-09-03 02:03:24 UTC

NP-MRD ID

NP0166635

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid

Description

N-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid is found in Piper arboreum. N-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004231522202D          

 32 31  0  0  0  0            999 V2000
   11.1375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.8579    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
  4  2  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  4  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  6 32  1  0  0  0  0
M  END

     RDKit          3D

 72 71  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004231522202D          

 32 31  0  0  0  0            999 V2000
   11.1375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0166635

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)C=CC(C)=CC(=O)NCC(C)(C)C(=O)C(C)(C)CNC(=O)C=C(C)C=CC(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C25H40N2O5/c1-17(9-11-19(3)28)13-21(30)26-15-24(5,6)23(32)25(7,8)16-27-22(31)14-18(2)10-12-20(4)29/h9-14,19-20,28-29H,15-16H2,1-8H3,(H,26,30)(H,27,31)

> <INCHI_KEY>
QWDUIMTWTQIEFM-UHFFFAOYSA-N

> <FORMULA>
C25H40N2O5

> <MOLECULAR_WEIGHT>
448.604

> <EXACT_MASS>
448.293722396

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
51.66308214301527

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-hydroxy-N-[5-(6-hydroxy-3-methylhepta-2,4-dienamido)-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide

> <ALOGPS_LOGP>
2.38

> <JCHEM_LOGP>
2.6663575916666655

> <ALOGPS_LOGS>
-5.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.040809331672534

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.515436620383475

> <JCHEM_PKA_STRONGEST_BASIC>
0.2098429006592215

> <JCHEM_POLAR_SURFACE_AREA>
115.73

> <JCHEM_REFRACTIVITY>
131.5822

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.20e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-hydroxy-N-[5-(6-hydroxy-3-methylhepta-2,4-dienamido)-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0      20.790   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.020   5.335   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      20.790   6.668   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      18.480   5.335   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.710   6.668   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.170   6.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.400   8.002   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.860   8.002   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      13.090   9.336   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      13.090   6.668   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.780   5.335   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.446   6.105   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.114   4.565   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.010   4.001   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.780   2.667   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.470   4.001   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.470   5.541   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.470   2.461   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       6.160   2.667   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.850   4.001   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.000  -2.667   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      15.400   5.335   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   32                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32    6                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   62    0
END

View in JSmol

Synonyms

Value	Source
N-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidate	Generator

Chemical Formula

C₂₅H₄₀N₂O₅

Average Mass

448.6040 Da

Monoisotopic Mass

448.29372 Da

IUPAC Name

6-hydroxy-N-[5-(6-hydroxy-3-methylhepta-2,4-dienamido)-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide

Traditional Name

6-hydroxy-N-[5-(6-hydroxy-3-methylhepta-2,4-dienamido)-2,2,4,4-tetramethyl-3-oxopentyl]-3-methylhepta-2,4-dienamide

CAS Registry Number

Not Available

SMILES

CC(O)C=CC(C)=CC(=O)NCC(C)(C)C(=O)C(C)(C)CNC(=O)C=C(C)C=CC(C)O

InChI Identifier

InChI=1S/C25H40N2O5/c1-17(9-11-19(3)28)13-21(30)26-15-24(5,6)23(32)25(7,8)16-27-22(31)14-18(2)10-12-20(4)29/h9-14,19-20,28-29H,15-16H2,1-8H3,(H,26,30)(H,27,31)

InChI Key

QWDUIMTWTQIEFM-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
Piper arboreum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Secondary alcohols

Alternative Parents

Substituents

Secondary alcohol
Ketone
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	2.38	ALOGPS
logP	2.67	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Acidic)	15.52	ChemAxon
pKa (Strongest Basic)	0.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	115.73 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	131.58 m³·mol⁻¹	ChemAxon
Polarizability	51.66 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

78385308

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid (NP0166635)

MOL for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

3D MOL for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

3D SDF for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

3D-SDF for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

PDB for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

3D PDB for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

SMILES for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

INCHI for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

Structure for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)

3D Structure for NP0166635 (n-{5-[(1,6-dihydroxy-3-methylhepta-2,4-dien-1-ylidene)amino]-2,2,4,4-tetramethyl-3-oxopentyl}-6-hydroxy-3-methylhepta-2,4-dienimidic acid)