NP-MRD: Showing NP-Card for 2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide (NP0206749)

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Record Information

Version

2.0

Created at

2022-09-05 03:06:58 UTC

Updated at

2022-09-05 03:06:58 UTC

NP-MRD ID

NP0206749

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide

Description

2-(2,6,10,14,18-Pentahydroxy-21-{5-hydroxy-1-[hydroxy(5-hydroxy-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene)methyl]-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide belongs to the class of organic compounds known as pyrrolidine-3-ones. These are pyrrolidines which bear a C=O group at position 3 of the pyrrolidine ring. 2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide is found in Streptomyces platensis. Based on a literature review very few articles have been published on 2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(5-hydroxy-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene)methyl]-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052205062D          

 60 63  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


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M  END
> <DATABASE_ID>
NP0206749

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C=CC(O)CC=C(C)C(O)C(C)C=CC1C(C)=CC2C(O)CCCC2C1(C)C(O)=C1C(=O)CN=C1O)C(O)C=CCC(O)C(C)=CCC(O)CC1CCCN1C(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C47H72N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-19,22,24,27,30,32-40,43,52-56,58-59H,7,9-11,13-14,20-21,23,25-26H2,1-6H3,(H3,48,49)(H,50,60)

> <INCHI_KEY>
PIZUDZCNPHHDQF-UHFFFAOYSA-N

> <FORMULA>
C47H72N4O9

> <MOLECULAR_WEIGHT>
837.112

> <EXACT_MASS>
836.529929914

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
132

> <JCHEM_AVERAGE_POLARIZABILITY>
94.65540395426464

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(5-hydroxy-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene)methyl]-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide

> <JCHEM_LOGP>
1.427592298367219

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.498618913606753

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.211122027483165

> <JCHEM_PKA_STRONGEST_BASIC>
12.19988574094007

> <JCHEM_POLAR_SURFACE_AREA>
244.37999999999997

> <JCHEM_REFRACTIVITY>
253.03210000000013

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5H-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0     -21.339  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -21.339  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -22.673  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -24.006  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -25.340  -2.310   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0     -25.340  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0     -26.674  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -28.007  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -28.168  -0.778   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -29.675  -0.458   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -30.445  -1.792   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0     -29.414  -2.936   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0     -29.734  -4.443   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0     -28.590  -5.473   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0     -31.199  -4.919   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0     -20.005  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -20.005  -0.770   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -14.670  -0.770   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0     -13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       3.390  -4.440   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       1.944  -4.440   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       0.405  -4.493   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       2.760  -5.746   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       4.297  -5.853   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       5.287  -4.673   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       4.669  -7.347   0.000  0.00  0.00           C+0
HETATM   58  N   UNK     0       3.363  -8.163   0.000  0.00  0.00           N+0
HETATM   59  C   UNK     0       2.184  -7.174   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       0.689  -7.546   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    2   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   50                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   44   49                                                  
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   43   50                                                  
CONECT   50   49   39   51   52                                             
CONECT   51   50                                                            
CONECT   52   50   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   59                                                  
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   54   60                                                  
CONECT   60   59                                                            
MASTER        0    0    0    0    0    0    0    0   60    0  126    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₇H₇₂N₄O₉

Average Mass

837.1120 Da

Monoisotopic Mass

836.52993 Da

IUPAC Name

2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(5-hydroxy-3-oxo-3,4-dihydro-2H-pyrrol-4-ylidene)methyl]-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide

Traditional Name

2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5H-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide

CAS Registry Number

Not Available

SMILES

CC(C=CC(O)CC=C(C)C(O)C(C)C=CC1C(C)=CC2C(O)CCCC2C1(C)C(O)=C1C(=O)CN=C1O)C(O)C=CCC(O)C(C)=CCC(O)CC1CCCN1C(N)=N

InChI Identifier

InChI=1S/C47H72N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-19,22,24,27,30,32-40,43,52-56,58-59H,7,9-11,13-14,20-21,23,25-26H2,1-6H3,(H3,48,49)(H,50,60)

InChI Key

PIZUDZCNPHHDQF-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
Streptomyces platensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolidine-3-ones. These are pyrrolidines which bear a C=O group at position 3 of the pyrrolidine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolidines

Sub Class

Pyrrolidones

Direct Parent

Pyrrolidine-3-ones

Alternative Parents

Substituents

3-pyrrolidone
2-pyrrolidone
Vinylogous acid
Cyclic alcohol
Cyclic ketone
Secondary carboxylic acid amide
Secondary alcohol
Lactam
Ketone
Guanidine
Carboxamide group
Azacycle
Carboximidamide
Polyol
Enol
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Imine
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	1.43	ChemAxon
pKa (Strongest Acidic)	4.21	ChemAxon
pKa (Strongest Basic)	12.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	244.38 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	253.03 m³·mol⁻¹	ChemAxon
Polarizability	94.66 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	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

76171624

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide (NP0206749)

MOL for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

3D MOL for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

3D SDF for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

3D-SDF for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

PDB for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

3D PDB for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

SMILES for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

INCHI for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

Structure for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)

3D Structure for NP0206749 (2-(2,6,10,14,18-pentahydroxy-21-{5-hydroxy-1-[hydroxy(2-hydroxy-4-oxo-5h-pyrrol-3-ylidene)methyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-2-yl}-5,11,17,19-tetramethylhenicosa-4,8,12,16,20-pentaen-1-yl)pyrrolidine-1-carboximidamide)