NP-MRD: Showing NP-Card for methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate (NP0219554)

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Record Information

Version

2.0

Created at

2022-09-05 20:35:09 UTC

Updated at

2022-09-05 20:35:09 UTC

NP-MRD ID

NP0219554

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate

Description

Methyl 1,8-dihydroxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]Pentadeca-2,6,13-triene-2-carboxylate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Methyl 1,8-dihydroxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]Pentadeca-2,6,13-triene-2-carboxylate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171510492D          

 37 40  0  0  0  0            999 V2000
    2.6229   -2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -1.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -0.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1940   -1.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9084   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780    0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8924    0.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6069    1.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8924    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1880    6.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6389   -0.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 14  1  0  0  0  0
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 28 34  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004171510492D          

 37 40  0  0  0  0            999 V2000
    2.6229   -2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -1.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  4  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 18  1  4  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 28 34  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0219554

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CC2C(C=CC(C)(O)C2CC(OC(=O)C=CC2=CN(C)C=N2)C2(C)OC1(O)C=C2)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H36N2O7/c1-17(2)19-9-10-26(3,33)21-14-23(36-24(31)8-7-18-15-30(5)16-29-18)27(4)11-12-28(34,37-27)22(13-20(19)21)25(32)35-6/h7-13,15-17,19-21,23,33-34H,14H2,1-6H3

> <INCHI_KEY>
WASTUEJXHKCTKG-UHFFFAOYSA-N

> <FORMULA>
C28H36N2O7

> <MOLECULAR_WEIGHT>
512.603

> <EXACT_MASS>
512.252251507

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
54.20593986280963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 1,8-dihydroxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
3.564714535666667

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.394491171450596

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.797522958306313

> <JCHEM_PKA_STRONGEST_BASIC>
5.946662387333631

> <JCHEM_POLAR_SURFACE_AREA>
120.11000000000003

> <JCHEM_REFRACTIVITY>
140.20600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.17e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       4.896  -3.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.896  -2.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.562  -1.620   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.229  -2.390   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.562  -0.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.027   0.396   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.932   1.641   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.266   0.871   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.600   1.641   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.600   3.181   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.266   3.951   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.256   5.131   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.276   5.131   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.932   3.181   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.027   4.427   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.562   4.903   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.562   6.443   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.229   7.213   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.895   6.443   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.229   8.753   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.895   9.523   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.895  11.063   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.351  11.968   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       0.125  13.433   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -0.780  14.679   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.665  13.433   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       2.141  11.968   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       2.098   4.427   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.193   5.673   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.602   2.411   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.098   0.396   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.193  -0.850   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.193   1.641   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.193   3.181   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.266  -0.669   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.600  -1.439   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.932  -1.439   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   14                                                  
CONECT    8    7    9   35                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11    7   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   28                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   22                                                       
CONECT   28   16   29   30   34                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30    5   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   28                                                       
CONECT   35    8   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
Methyl 1,8-dihydroxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0,]pentadeca-2,6,13-triene-2-carboxylic acid	Generator
Methyl 1,8-dihydroxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylic acid	Generator

Chemical Formula

C₂₈H₃₆N₂O₇

Average Mass

512.6030 Da

Monoisotopic Mass

512.25225 Da

IUPAC Name

methyl 1,8-dihydroxy-8,12-dimethyl-11-{[3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-5-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate

Traditional Name

methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CC2C(C=CC(C)(O)C2CC(OC(=O)C=CC2=CN(C)C=N2)C2(C)OC1(O)C=C2)C(C)C

InChI Identifier

InChI=1S/C28H36N2O7/c1-17(2)19-9-10-26(3,33)21-14-23(36-24(31)8-7-18-15-30(5)16-29-18)27(4)11-12-28(34,37-27)22(13-20(19)21)25(32)35-6/h7-13,15-17,19-21,23,33-34H,14H2,1-6H3

InChI Key

WASTUEJXHKCTKG-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Fatty acid ester
Dicarboxylic acid or derivatives
N-substituted imidazole
Fatty acyl
Azole
Dihydrofuran
Imidazole
Tertiary alcohol
Methyl ester
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Heteroaromatic compound
Hemiacetal
Carboxylic acid ester
Carboxylic acid derivative
Organoheterocyclic compound
Azacycle
Oxacycle
Carbonyl group
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Alcohol
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	2.74	ALOGPS
logP	3.56	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	10.8	ChemAxon
pKa (Strongest Basic)	5.95	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	120.11 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	140.21 m³·mol⁻¹	ChemAxon
Polarizability	54.21 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

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

73999969

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate (NP0219554)

MOL for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

3D MOL for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

3D SDF for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

3D-SDF for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

PDB for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

3D PDB for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

SMILES for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

INCHI for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

Structure for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)

3D Structure for NP0219554 (methyl 1,8-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,6,13-triene-2-carboxylate)