NP-MRD: Showing NP-Card for (4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one (NP0190583)

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Record Information

Version

2.0

Created at

2022-09-04 07:17:00 UTC

Updated at

2022-09-04 07:17:00 UTC

NP-MRD ID

NP0190583

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one

Description

(4E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. (4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one is found in Cystoseira amentacea. Based on a literature review very few articles have been published on (4E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309042209172D          

 33 34  0  0  1  0            999 V2000
   11.1499    0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3430    0.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7909   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0459   -1.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8528   -1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4938   -1.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6869   -1.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1348   -2.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4319   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9839   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7290    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671    1.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8601    1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6052    2.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1572    3.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    2.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462    2.0483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6941    2.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9136    1.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8337    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5787    1.5634    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7700    1.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203    2.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2670    2.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    3.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316    1.6129    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END


  Mrv1652309042209172D          

 33 34  0  0  1  0            999 V2000
   11.1499    0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3430    0.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7909   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0459   -1.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8528   -1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4938   -1.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6869   -1.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1348   -2.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4319   -0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9839   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7290    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671    1.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    2.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8601    1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6052    2.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1572    3.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    2.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462    2.0483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6941    2.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9136    1.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8337    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5787    1.5634    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7700    1.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203    2.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2670    2.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6568    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717    3.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316    1.6129    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0190583

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C=C(O)C=C1C\C=C(/C)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)\C=C\C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C28H40O5/c1-19(9-10-21-17-22(29)16-20(2)25(21)33-7)15-23(30)18-27(5)12-8-13-28(27,6)24(31)11-14-26(3,4)32/h9,11,14,16-17,29,32H,8,10,12-13,15,18H2,1-7H3/b14-11+,19-9+/t27-,28+/m1/s1

> <INCHI_KEY>
KKCZRODZKAGQFG-WVMMAZAPSA-N

> <FORMULA>
C28H40O5

> <MOLECULAR_WEIGHT>
456.623

> <EXACT_MASS>
456.287574388

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
51.90462092959482

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one

> <JCHEM_LOGP>
6.033225071666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.976849344620472

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.996498707455446

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8050803582177792

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
134.69989999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      20.813   0.118   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      19.307   0.438   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      18.276  -0.707   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.752  -2.171   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      20.259  -2.491   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.722  -3.316   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.215  -2.996   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      15.185  -4.140   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      15.740  -1.531   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.770  -0.386   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.294   1.078   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.788   1.398   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.312   2.863   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.342   4.007   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.806   3.183   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.330   4.648   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.360   5.792   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.823   4.968   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.793   3.824   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.762   4.968   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.039   2.918   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.563   1.454   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.023   1.454   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.547   2.918   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.037   2.614   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.505   4.052   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.965   5.521   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.002   3.716   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.959   4.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.456   4.514   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.953   4.178   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.120   6.017   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.792   3.011   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21   24                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32   33                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   30                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₀O₅

Average Mass

456.6230 Da

Monoisotopic Mass

456.28757 Da

IUPAC Name

(4E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one

Traditional Name

(4E)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1R,2R)-2-[(2E)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one

CAS Registry Number

Not Available

SMILES

COC1=C(C)C=C(O)C=C1C\C=C(/C)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)\C=C\C(C)(C)O

InChI Identifier

InChI=1S/C28H40O5/c1-19(9-10-21-17-22(29)16-20(2)25(21)33-7)15-23(30)18-27(5)12-8-13-28(27,6)24(31)11-14-26(3,4)32/h9,11,14,16-17,29,32H,8,10,12-13,15,18H2,1-7H3/b14-11+,19-9+/t27-,28+/m1/s1

InChI Key

KKCZRODZKAGQFG-WVMMAZAPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cystoseira amentacea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
4-alkoxyphenol
Phenoxy compound
M-cresol
Phenol ether
Anisole
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Toluene
Monocyclic benzene moiety
Acryloyl-group
Enone
Tertiary alcohol
Alpha,beta-unsaturated ketone
Ketone
Ether
Organic oxygen compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic 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	6.03	ChemAxon
pKa (Strongest Acidic)	10	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	134.7 m³·mol⁻¹	ChemAxon
Polarizability	51.9 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

10472402

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

23426484

PDB ID

Not Available

ChEBI ID

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Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one (NP0190583)

MOL for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

3D MOL for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

3D SDF for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

3D-SDF for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

PDB for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

3D PDB for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

SMILES for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

INCHI for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

Structure for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)

3D Structure for NP0190583 ((4e)-6-(5-hydroxy-2-methoxy-3-methylphenyl)-1-[(1r,2r)-2-[(2e)-4-hydroxy-4-methylpent-2-enoyl]-1,2-dimethylcyclopentyl]-4-methylhex-4-en-2-one)