NP-MRD: Showing NP-Card for (10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione (NP0230488)

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Record Information

Version

2.0

Created at

2022-09-06 10:56:57 UTC

Updated at

2022-09-06 10:56:57 UTC

NP-MRD ID

NP0230488

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione

Description

Virginiamycin M1, also known as mikamycin a or streptogramin a, belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. Virginiamycin M1 is a drug which is used for the treatment of bacterial infections. Virginiamycin M1 is a moderately basic compound (based on its pKa). (10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione is found in Apis cerana. (10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione was first documented in 1986 (PMID: 3096930). A macrolide that is (together with pristinamycin IA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis (PMID: 25223995) (PMID: 15480455) (PMID: 24324222) (PMID: 24687494).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309272007352D          

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M  END

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M  END


  Mrv1652309272007352D          

 38 40  0  0  0  0            999 V2000
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10005.6416 9995.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.1604 9996.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.3561 9997.1009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10007.0706 9997.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.3561 9996.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.8213 9996.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  6  0  0  0
  1  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 14 15  2  0  0  0  0
  2  1  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 23  2  0  0  0  0
 17 22  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 20 26  1  0  0  0  0
 30 29  2  0  0  0  0
 28 30  1  0  0  0  0
 16 30  1  0  0  0  0
 31 32  1  0  0  0  0
  2 31  1  0  0  0  0
 31  3  1  6  0  0  0
 17 32  1  0  0  0  0
 16 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  1  0  0  0
 33 37  1  0  0  0  0
 37 35  1  0  0  0  0
 35 15  1  0  0  0  0
 14 38  1  0  0  0  0
 20 19  1  0  0  0  0
 25 19  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230488

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)=N2

> <INCHI_IDENTIFIER>
InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1

> <INCHI_KEY>
DAIKHDNSXMZDCU-FQTGFAPKSA-N

> <FORMULA>
C28H35N3O7

> <MOLECULAR_WEIGHT>
525.5934

> <EXACT_MASS>
525.247500489

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
55.73406313278157

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone

> <ALOGPS_LOGP>
2.60

> <JCHEM_LOGP>
2.3764210819999994

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.68107688464331

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.375939539573055

> <JCHEM_PKA_STRONGEST_BASIC>
-0.1576672967045193

> <JCHEM_POLAR_SURFACE_AREA>
139.04

> <JCHEM_REFRACTIVITY>
144.1718

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(10R,11R,12E,17E,19E,21S)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8667.6648659.715   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8666.3318658.945   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8664.9978656.635   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8663.6638657.405   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8664.9978655.095   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8664.9978659.715   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8667.6648661.255   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8668.9988662.025   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    8668.9988663.565   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    8670.3328661.255   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0    8671.6658662.025   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8672.9998661.255   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8674.3338662.025   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8675.6678661.255   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8677.0008662.025   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8677.1988657.405   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8668.6098657.405   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    8668.6098658.945   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0    8671.2888656.718   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0    8672.4278657.405   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0    8672.4278658.945   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0    8669.7488656.719   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8669.2738655.254   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8670.5188654.349   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8671.7648655.254   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8673.5678656.718   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8674.0438655.254   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0    8675.5838655.254   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0    8674.8138657.623   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0    8676.0588656.718   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8666.3318657.405   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0    8667.4708656.719   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0    8677.1988658.945   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0    8676.2998659.528   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0    8678.5318661.255   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0    8679.8658662.025   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0    8678.5318659.715   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8675.6668660.026   0.000  0.00  0.00           C+0
CONECT    1    7    2                                                       
CONECT    2    6    1   31                                                  
CONECT    3    4    5   31                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7    1    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   38                                                  
CONECT   15   14   35                                                       
CONECT   16   30   33                                                       
CONECT   17   18   22   32                                                  
CONECT   18   17                                                            
CONECT   19   20   25   22                                                  
CONECT   20   21   26   19                                                  
CONECT   21   20                                                            
CONECT   22   23   17   19                                                  
CONECT   23   24   22                                                       
CONECT   24   23   25                                                       
CONECT   25   24   19                                                       
CONECT   26   27   29   20                                                  
CONECT   27   26   28                                                       
CONECT   28   27   30                                                       
CONECT   29   26   30                                                       
CONECT   30   29   28   16                                                  
CONECT   31   32    2    3                                                  
CONECT   32   31   17                                                       
CONECT   33   16   34   37                                                  
CONECT   34   33                                                            
CONECT   35   36   37   15                                                  
CONECT   36   35                                                            
CONECT   37   33   35                                                       
CONECT   38   14                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Value	Source
Mikamycin a	ChEBI
Ostreogrycin a	ChEBI
Streptogramin a	ChEBI
Virginiamycin factor m1	ChEBI
Pristinamycin iia	Kegg
Ostreogrycin g	MeSH
Pristinamycin iib	MeSH
Staphylomycin m	MeSH
Staphylomycin M1	MeSH
Virginiamycin iib	MeSH
Virginiamycin M1	ChEBI
PIIA	PhytoBank
VM1	PhytoBank
Vernamycin A	PhytoBank

Chemical Formula

C₂₈H₃₅N₃O₇

Average Mass

525.5934 Da

Monoisotopic Mass

525.24750 Da

IUPAC Name

(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone

Traditional Name

(10R,11R,12E,17E,19E,21S)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone

CAS Registry Number

Not Available

SMILES

CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C)=N2

InChI Identifier

InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1

InChI Key

DAIKHDNSXMZDCU-FQTGFAPKSA-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
Apis cerana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolide lactams

Sub Class

Not Available

Direct Parent

Macrolide lactams

Alternative Parents

Substituents

Macrolide lactam
Macrolactam
Alpha-amino acid or derivatives
2-heteroaryl carboxamide
Azole
Oxazole
Heteroaromatic compound
Pyrroline
Tertiary carboxylic acid amide
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxamide group
Carboxylic acid ester
Ketone
Lactam
Lactone
Secondary alcohol
Secondary carboxylic acid amide
Cyclic ketone
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

cyclic ketone (CHEBI:9997 )
1,3-oxazoles (CHEBI:9997 )
secondary alcohol (CHEBI:9997 )
macrolide antibiotic (CHEBI:9997 )
enamide (CHEBI:9997 )
lactam (CHEBI:9997 )
pyrroline (CHEBI:9997 )
macrolide (CHEBI:9997 )

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	2.6	ALOGPS
logP	2.38	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	11.38	ChemAxon
pKa (Strongest Basic)	-0.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	139.04 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	144.17 m³·mol⁻¹	ChemAxon
Polarizability	55.73 Å³	ChemAxon
Number of Rings	3	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

DB01669

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C11299

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Pristinamycin_IIA

METLIN ID

Not Available

PubChem Compound

5459319

PDB ID

Not Available

ChEBI ID

9997

Good Scents ID

Not Available

References

General References

Stogios PJ, Kuhn ML, Evdokimova E, Courvalin P, Anderson WF, Savchenko A: Potential for reduction of streptogramin A resistance revealed by structural analysis of acetyltransferase VatA. Antimicrob Agents Chemother. 2014 Dec;58(12):7083-92. doi: 10.1128/AAC.03743-14. Epub 2014 Sep 15. [PubMed:25223995 ]
Dang J, Bergdahl M, Separovic F, Brownlee RT, Metzger RP: Solvent affects the conformation of virginiamycin M1 (pristinamycin IIA, streptogramin A). Org Biomol Chem. 2004 Oct 21;2(20):2919-24. doi: 10.1039/B407724E. Epub 2004 Sep 16. [PubMed:15480455 ]
Li J, Li B, Wendlandt S, Schwarz S, Wang Y, Wu C, Ma Z, Shen J: Identification of a novel vga(E) gene variant that confers resistance to pleuromutilins, lincosamides and streptogramin A antibiotics in staphylococci of porcine origin. J Antimicrob Chemother. 2014 Apr;69(4):919-23. doi: 10.1093/jac/dkt482. Epub 2013 Dec 8. [PubMed:24324222 ]
Hot C, Berthet N, Chesneau O: Characterization of sal(A), a novel gene responsible for lincosamide and streptogramin A resistance in Staphylococcus sciuri. Antimicrob Agents Chemother. 2014 Jun;58(6):3335-41. doi: 10.1128/AAC.02797-13. Epub 2014 Mar 31. [PubMed:24687494 ]
Aumercier M, Bouhallab S, Capmau ML, Le Goffic F: Irreversible binding of pristinamycin IIA (streptogramin A) to ribosomes explains its "lasting damage" effect. J Antibiot (Tokyo). 1986 Sep;39(9):1322-8. doi: 10.7164/antibiotics.39.1322. [PubMed:3096930 ]
LOTUS database [Link]

Showing NP-Card for (10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione (NP0230488)

MOL for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

3D MOL for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

3D SDF for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

3D-SDF for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

PDB for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

3D PDB for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

SMILES for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

INCHI for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

Structure for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)

3D Structure for NP0230488 ((10r,11r,12e,17e,19e,21s)-14,21-dihydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0³,⁷]octacosa-1(27),6,12,14,17,19,25(28)-heptaene-2,8,23-trione)