NP-MRD: Showing NP-Card for (1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate (NP0248848)

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Record Information

Version

2.0

Created at

2022-09-07 11:15:03 UTC

Updated at

2022-09-07 11:15:03 UTC

NP-MRD ID

NP0248848

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Description

STEPHISOFERULINE belongs to the class of organic compounds known as hasubanan alkaloids. These are alkaloids with a structure based on the hasubanan skeleton, a tetracyclic propellane. (1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate is found in Stephania hernandifolia. Based on a literature review very few articles have been published on STEPHISOFERULINE.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072213152D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072213152D          

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    4.2821   -2.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1489   -1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248   -2.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540   -0.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2968   -4.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8258   -5.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5421   -6.2522    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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  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
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  1  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 28 36  1  0  0  0  0
 14 36  1  0  0  0  0
  6 37  1  0  0  0  0
 37 38  2  0  0  0  0
  3 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0248848

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]1[C@H](C[C@]23CCN[C@@]22C[C@H](O[C@@]12OC)C1=CC=C(OC)C(O)=C31)OC(=O)\C=C\C1=CC=C(OC)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3/b10-6+/t21-,22-,26-,27-,28-,29-/m0/s1

> <INCHI_KEY>
YYOXLLHHBARIFS-SRPBVKBXSA-N

> <FORMULA>
C29H33NO9

> <MOLECULAR_WEIGHT>
539.581

> <EXACT_MASS>
539.215531647

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
55.48209367583759

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1^{8,11}.0^{1,10}.0^{2,7}]octadeca-2,4,6-trien-13-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
2.8106888481836974

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
10.056860160467199

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.488588613081205

> <JCHEM_PKA_STRONGEST_BASIC>
8.825975009545967

> <JCHEM_POLAR_SURFACE_AREA>
124.94000000000003

> <JCHEM_REFRACTIVITY>
140.2128

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1^{8,11}.0^{1,10}.0^{2,7}]octadeca-2,4,6-trien-13-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.250 -12.588   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -7.780 -11.142   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -6.792  -9.960   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.322  -8.514   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.334  -7.333   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.817  -7.597   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.829  -6.415   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.312  -6.680   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.325  -5.498   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.192  -5.762   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.854  -4.052   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.867  -2.870   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.810  -3.171   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.534  -1.748   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.197  -2.504   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.192  -1.989   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -0.638  -0.600   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       0.902  -0.300   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.631   1.327   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.602   1.036   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.682   1.715   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.356   0.340   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.566   1.292   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -2.996   0.721   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.529  -1.090   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -3.048  -0.837   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -4.027  -2.026   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.692  -0.241   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.221  -0.057   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.145  -1.289   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.540  -2.706   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.464  -3.938   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       7.993  -3.753   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.011  -2.890   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.406  -4.306   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.087  -1.658   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.287  -9.043   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.275 -10.225   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.745 -11.671   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   38                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   37                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   25                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18   36                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14   19   22                                             
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   18   23   25                                             
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   12   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   20   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   28   14                                                  
CONECT   37    6   38                                                       
CONECT   38   37    3   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₃NO₉

Average Mass

539.5810 Da

Monoisotopic Mass

539.21553 Da

IUPAC Name

(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1^{8,11}.0^{1,10}.0^{2,7}]octadeca-2,4,6-trien-13-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

Traditional Name

(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1^{8,11}.0^{1,10}.0^{2,7}]octadeca-2,4,6-trien-13-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

CO[C@H]1[C@H](C[C@]23CCN[C@@]22C[C@H](O[C@@]12OC)C1=CC=C(OC)C(O)=C31)OC(=O)\C=C\C1=CC=C(OC)C(O)=C1

InChI Identifier

InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3/b10-6+/t21-,22-,26-,27-,28-,29-/m0/s1

InChI Key

YYOXLLHHBARIFS-SRPBVKBXSA-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
Stephania hernandifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hasubanan alkaloids. These are alkaloids with a structure based on the hasubanan skeleton, a tetracyclic propellane.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Hasubanan alkaloids

Sub Class

Not Available

Direct Parent

Hasubanan alkaloids

Alternative Parents

Substituents

Hasubanan skeleton
Phenanthrene
Cinnamic acid or derivatives
Coumaric acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Methoxyphenol
Tetralin
Indole or derivatives
Dihydroindole
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
Styrene
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Ketal
Phenol
Aralkylamine
Benzenoid
Monocyclic benzene moiety
Fatty acyl
Pyrrolidine
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Oxolane
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Oxacycle
Organoheterocyclic compound
Secondary amine
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Acetal
Dialkyl ether
Secondary aliphatic amine
Ether
Amine
Carbonyl group
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Organic nitrogen compound
Organic oxide
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	2.81	ChemAxon
pKa (Strongest Acidic)	9.49	ChemAxon
pKa (Strongest Basic)	8.83	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	124.94 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	140.21 m³·mol⁻¹	ChemAxon
Polarizability	55.48 Å³	ChemAxon
Number of Rings	6	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

C00025131

Chemspider ID

10217045

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21593985

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate (NP0248848)

MOL for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

3D MOL for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

3D SDF for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

3D-SDF for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

PDB for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

3D PDB for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

SMILES for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

INCHI for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

Structure for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)

3D Structure for NP0248848 ((1s,8s,10s,11r,12s,13s)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-yl (2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate)