NP-MRD: Showing NP-Card for 4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol (NP0159109)

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Record Information

Version

2.0

Created at

2022-09-02 16:48:50 UTC

Updated at

2022-09-02 16:48:50 UTC

NP-MRD ID

NP0159109

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol

Description

(1R,2S)-1,2,9,12-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxy-7,9,9-trimethyl-3,8-dioxa-12-azabenzo[a]cyclopenta[i]fluorene-1-methanol belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol is found in Murraya koenigii. Based on a literature review very few articles have been published on (1R,2S)-1,2,9,12-Tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxy-7,9,9-trimethyl-3,8-dioxa-12-azabenzo[a]cyclopenta[i]fluorene-1-methanol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022218482D          

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M  END

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  Mrv1652309022218482D          

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    0.2104   -7.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904   -7.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690   -6.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697   -6.7069    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 16 22  2  0  0  0  0
 13 22  1  0  0  0  0
 18 23  1  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
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 17 28  1  0  0  0  0
 14 29  1  0  0  0  0
  8 29  2  0  0  0  0
 29 30  1  0  0  0  0
  6 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
  5 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0159109

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(NC3=C2C=C(C)C2=C3C=CC(C)(C)O2)C2=C1O[C@@H]([C@H]2CO)C1=CC(OC)=C(O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H31NO7/c1-14-9-17-18-12-22(36-6)29-23(25(18)31-24(17)16-7-8-30(2,3)38-27(14)16)19(13-32)28(37-29)15-10-20(34-4)26(33)21(11-15)35-5/h7-12,19,28,31-33H,13H2,1-6H3/t19-,28+/m0/s1

> <INCHI_KEY>
XEHPAUJBOXMPQU-HMILPKGGSA-N

> <FORMULA>
C30H31NO7

> <MOLECULAR_WEIGHT>
517.578

> <EXACT_MASS>
517.210052342

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
57.07744284179091

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(7S,8R)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0^{2,10}.0^{5,9}.0^{13,18}]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol

> <ALOGPS_LOGP>
4.75

> <JCHEM_LOGP>
4.364659726666666

> <ALOGPS_LOGS>
-5.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.61527887824871

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.302161626827887

> <JCHEM_PKA_STRONGEST_BASIC>
-2.728346519434589

> <JCHEM_POLAR_SURFACE_AREA>
102.40000000000002

> <JCHEM_REFRACTIVITY>
144.6344

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.03e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(7S,8R)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0^{2,10}.0^{5,9}.0^{13,18}]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.385 -10.577   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.263  -9.522   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.789  -9.965   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.667  -8.910   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.808  -9.353   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.929  -8.298   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.734  -6.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.127  -6.113   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.570  -4.638   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.515  -3.517   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.959  -2.042   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.069  -4.285   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.125  -5.406   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.681  -6.881   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       6.947  -7.759   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       8.173  -6.826   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.686  -7.113   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.691  -5.946   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.183  -4.492   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.187  -3.326   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.669  -4.206   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.664  -5.372   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.204  -6.233   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      12.712  -7.687   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.055  -6.934   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.686  -8.879   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.707  -8.854   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.194  -8.567   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.182  -7.234   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.442  -8.585   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.099  -9.977   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.222 -11.243   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.161 -10.852   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.039 -11.908   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.393 -13.407   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.729 -14.462   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.435 -11.464   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -2.557 -12.520   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   33                                                  
CONECT    6    5    7   30                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   29                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   29                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18   28                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   16   13                                                  
CONECT   23   18   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28                                                       
CONECT   28   27   17                                                       
CONECT   29   14    8   30                                                  
CONECT   30   29    6   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33    5   34                                                       
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34    3   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₁NO₇

Average Mass

517.5780 Da

Monoisotopic Mass

517.21005 Da

IUPAC Name

4-[(7S,8R)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0^{2,10}.0^{5,9}.0^{13,18}]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol

Traditional Name

4-[(7S,8R)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0^{2,10}.0^{5,9}.0^{13,18}]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(NC3=C2C=C(C)C2=C3C=CC(C)(C)O2)C2=C1O[C@@H]([C@H]2CO)C1=CC(OC)=C(O)C(OC)=C1

InChI Identifier

InChI=1S/C30H31NO7/c1-14-9-17-18-12-22(36-6)29-23(25(18)31-24(17)16-7-8-30(2,3)38-27(14)16)19(13-32)28(37-29)15-10-20(34-4)26(33)21(11-15)35-5/h7-12,19,28,31-33H,13H2,1-6H3/t19-,28+/m0/s1

InChI Key

XEHPAUJBOXMPQU-HMILPKGGSA-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
Murraya koenigii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Carbazole
2,2-dimethyl-1-benzopyran
Benzopyran
Methoxyphenol
1-benzopyran
M-dimethoxybenzene
Dimethoxybenzene
Indole
Coumaran
Indole or derivatives
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Pyrrole
Heteroaromatic compound
Oxacycle
Organoheterocyclic compound
Azacycle
Ether
Primary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Alcohol
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	4.75	ALOGPS
logP	4.36	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	9.3	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	102.4 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	144.63 m³·mol⁻¹	ChemAxon
Polarizability	57.08 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	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

20057795

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22297890

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol (NP0159109)

MOL for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

3D MOL for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

3D SDF for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

3D-SDF for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

PDB for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

3D PDB for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

SMILES for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

INCHI for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

Structure for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)

3D Structure for NP0159109 (4-[(7s,8r)-8-(hydroxymethyl)-4-methoxy-16,16,19-trimethyl-6,17-dioxa-11-azapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-1(12),2(10),3,5(9),13(18),14,19-heptaen-7-yl]-2,6-dimethoxyphenol)