NP-MRD: Showing NP-Card for 2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione (NP0264740)

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Record Information

Version

1.0

Created at

2022-09-08 08:27:08 UTC

Updated at

2022-09-08 08:27:08 UTC

NP-MRD ID

NP0264740

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione

Description

2,5-Dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively. 2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione is found in Penicillium chrysogenum. It was first documented in 2022 (PMID: 36104165). Based on a literature review a significant number of articles have been published on 2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione (PMID: 36104164) (PMID: 36104163) (PMID: 36104162) (PMID: 36104161) (PMID: 36104160) (PMID: 36104159).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 35  0  0  0  0  0  0  0  0999 V2000
    2.8807   -3.4468    4.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797   -3.3348    3.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497   -2.1773    2.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658   -2.1275    1.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592   -0.9029    1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -0.8907    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880   -2.1489   -0.2994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    0.1829   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.0183   -1.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1972   -1.0344   -1.8068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    1.0365   -2.7462 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9565    0.9729   -3.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6331    0.7642   -3.7364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3288    2.3818   -2.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368    3.3653   -2.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4268    2.5432   -1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1147    3.8740   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    1.4874   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373    1.7579    0.8013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908   -2.6024    4.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385   -4.3941    4.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3371   -3.3601    5.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   -4.2238    3.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2147   -1.2792    3.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -3.0016    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571   -0.0612    1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7090   -2.3513    0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348   -0.0067   -3.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630    0.9355   -2.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1648    1.8226   -3.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6272    1.4289   -4.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    3.8611   -0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087    4.1205    0.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    4.6176   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266    2.2098    0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8 18  1  0
 18 19  1  0
 18 16  2  0
 16 17  1  0
 16 14  1  0
 14 15  2  0
 14 11  1  0
 11 12  1  0
 11 13  1  6
 11  9  1  0
  9 10  2  0
  9  8  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  7 27  1  0
 19 35  1  0
 17 32  1  0
 17 33  1  0
 17 34  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
 13 31  1  0
M  END


  Mrv1652309082210272D          

 19 19  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  4  3  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  4  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0264740

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=CC=CC(O)=C1C(O)=C(C)C(=O)C(C)(O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H16O5/c1-4-5-6-7-9(15)10-11(16)8(2)12(17)14(3,19)13(10)18/h4-7,15-16,19H,1-3H3

> <INCHI_KEY>
JSSFRHLBNRCOAQ-UHFFFAOYSA-N

> <FORMULA>
C14H16O5

> <MOLECULAR_WEIGHT>
264.277

> <EXACT_MASS>
264.099773615

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
27.009317695752845

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione

> <JCHEM_LOGP>
1.4825725003333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.56825382715303

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.747528450997093

> <JCHEM_PKA_STRONGEST_BASIC>
-4.343054231107362

> <JCHEM_POLAR_SURFACE_AREA>
94.83

> <JCHEM_REFRACTIVITY>
74.9157

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-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      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.667  -0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.344   3.490   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.324   3.490   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   18                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    8   19                                                  
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₁₆O₅

Average Mass

264.2770 Da

Monoisotopic Mass

264.09977 Da

IUPAC Name

2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione

Traditional Name

2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione

CAS Registry Number

Not Available

SMILES

CC=CC=CC(O)=C1C(O)=C(C)C(=O)C(C)(O)C1=O

InChI Identifier

InChI=1S/C14H16O5/c1-4-5-6-7-9(15)10-11(16)8(2)12(17)14(3,19)13(10)18/h4-7,15-16,19H,1-3H3

InChI Key

JSSFRHLBNRCOAQ-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
Penicillium chrysogenum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

M-benzoquinones

Alternative Parents

Substituents

M-benzoquinone
Cyclohexenone
Acyloin
Vinylogous acid
Tertiary alcohol
Enol
Organic oxide
Hydrocarbon derivative
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	1.48	ChemAxon
pKa (Strongest Acidic)	3.75	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	94.83 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	74.92 m³·mol⁻¹	ChemAxon
Polarizability	27.01 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

72756150

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Bamat NA, Orians CM, Abbasi S, Morley CJ, Ross Russell R, Panitch HB, Handley SC, Foglia EE, Posencheg MA, Kirpalani H: Use of ventilation/perfusion mismatch to guide individualised CPAP level selection in preterm infants: a feasibility trial. Arch Dis Child Fetal Neonatal Ed. 2022 Sep 14. pii: archdischild-2022-324474. doi: 10.1136/archdischild-2022-324474. [PubMed:36104165 ]
Kopel D, Gottschalk CH: The Epidemiology of Primary Headache Disorders. Semin Neurol. 2022 Sep 14. doi: 10.1055/a-1942-6823. [PubMed:36104164 ]
Cleary NM, O'Gorman A: Hyaluronidase for localised infusion site reaction during continuous subcutaneous infusion. BMJ Support Palliat Care. 2022 Sep 14. pii: spcare-2022-003909. doi: 10.1136/spcare-2022-003909. [PubMed:36104163 ]
Hayes J, Waldron D, Levins KJ, Gaffney L, Azhar M, Beatty S, Mannion E: Methadone prescribed as an analgesic by a specialist palliative medicine team in an acute hospital inpatient setting: retrospective study. BMJ Support Palliat Care. 2022 Sep 14. pii: spcare-2022-003586. doi: 10.1136/spcare-2022-003586. [PubMed:36104162 ]
Peiro I, Milla J, Arribas L, Hurtos L, Gonzalez-Tampan AR, Bellver M, Fort E, Molina-Mata K, Joudanin JR, Valcarcel J, Gonzalez-Barboteo J: Venting percutaneous radiologic gastrostomy in malignant bowel obstruction: safety and effectiveness in a comprehensive cancer centre. BMJ Support Palliat Care. 2022 Sep 14. pii: spcare-2022-003895. doi: 10.1136/spcare-2022-003895. [PubMed:36104161 ]
Cheng J, Yu Q, Tu K, Wang J, Zhang L, Cheng Z: Hierarchical Self-Assembly of Triphilic Main-Chain-Type Semifluorinated Alternating Graft Copolymers in Aqueous Solution. Macromol Rapid Commun. 2022 Sep 14:e2200570. doi: 10.1002/marc.202200570. [PubMed:36104160 ]
Khasawneh A, Kratzke I, Adapa K, Marks L, Mazur L: Effect of Notes' Access and Complexity on OpenNotes' Utility. Appl Clin Inform. 2022 Oct;13(5):1015-1023. doi: 10.1055/a-1942-6889. Epub 2022 Sep 14. [PubMed:36104159 ]
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LOTUS database [Link]

Showing NP-Card for 2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione (NP0264740)

MOL for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

3D MOL for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

3D SDF for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

3D-SDF for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

PDB for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

3D PDB for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

SMILES for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

INCHI for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

Structure for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)

3D Structure for NP0264740 (2,5-dihydroxy-6-(1-hydroxyhexa-2,4-dien-1-ylidene)-2,4-dimethylcyclohex-4-ene-1,3-dione)