NP-MRD: Showing NP-Card for 23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate (NP0164226)

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Record Information

Version

2.0

Created at

2022-09-02 23:04:11 UTC

Updated at

2022-09-02 23:04:11 UTC

NP-MRD ID

NP0164226

Secondary Accession Numbers

None

Natural Product Identification

Common Name

23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate

Description

AC1L4J1T belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate is found in Talaromyces verruculosus. AC1L4J1T is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251507162D          

 41 46  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004251507162D          

 41 46  0  0  0  0            999 V2000
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    3.3653   -1.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0486   -1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244   -1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5461   -1.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6684   -2.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1916   -0.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053   -0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3860   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0694   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1794    1.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2019   -0.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7157   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316   -0.6382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4136   -1.5281    0.0000 C   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  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 26  2  0  0  0  0
 13 26  1  0  0  0  0
 25 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  2  0  0  0  0
  3 28  1  0  0  0  0
 12 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 36  1  0  0  0  0
 36 37  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0164226

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C(=C1)N1C(OOC(C)(C)CC3N4C(=O)C5CC(CN5C(=O)C4(O)C(O)C2=C13)OC(C)=O)C=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H35N3O9/c1-14(2)9-22-31-19-10-16(38-6)7-8-18(19)23-24(31)21(12-28(4,5)41-40-22)32-26(35)20-11-17(39-15(3)33)13-30(20)27(36)29(32,37)25(23)34/h7-10,17,20-22,25,34,37H,11-13H2,1-6H3

> <INCHI_KEY>
SVIHNQHJZUQMBA-UHFFFAOYSA-N

> <FORMULA>
C29H35N3O9

> <MOLECULAR_WEIGHT>
569.611

> <EXACT_MASS>
569.237329719

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
60.16554781690488

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate

> <ALOGPS_LOGP>
1.58

> <JCHEM_LOGP>
1.7222338673333337

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.527165609528481

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.133975190914574

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7962463683819108

> <JCHEM_POLAR_SURFACE_AREA>
140.0

> <JCHEM_REFRACTIVITY>
143.50160000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.63e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      -0.909   0.526   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.081  -0.772   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.458  -0.705   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.168   0.662   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.707   0.729   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.535  -0.569   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.054  -0.823   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.259   0.136   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.030   1.659   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.692  -0.428   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.463   1.095   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       8.920  -1.951   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       7.742  -2.834   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.430  -4.212   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.942  -5.672   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.479  -5.766   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.249  -7.181   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.564  -6.360   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.103  -5.872   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.416  -4.494   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.880  -4.602   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.205  -5.986   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.669  -6.094   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.067  -7.263   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       4.904  -3.033   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       6.282  -2.346   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.824  -1.935   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.286  -2.003   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.353  -2.514   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.581  -4.037   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      11.558  -1.555   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.077  -1.809   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.787  -0.443   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.707   0.655   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0      11.330  -0.032   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       9.896   0.532   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       9.668   2.055   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      15.310  -0.215   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      16.269  -1.419   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      17.792  -1.191   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      15.705  -2.853   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   28                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   27                                                  
CONECT    7    6    8   26                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12   36                                             
CONECT   11   10                                                            
CONECT   12   10   13   29                                                  
CONECT   13   12   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   20   26   27                                                  
CONECT   26   25    7   13                                                  
CONECT   27   25    6   28                                                  
CONECT   28   27    3                                                       
CONECT   29   12   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   35                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   31   36                                                  
CONECT   36   35   10   37                                                  
CONECT   37   36                                                            
CONECT   38   33   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   92    0
END

View in JSmol

Synonyms

Value	Source
23,24-Dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2(7),3,5-tetraen-19-yl acetic acid	Generator

Chemical Formula

C₂₉H₃₅N₃O₉

Average Mass

569.6110 Da

Monoisotopic Mass

569.23733 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C(=C1)N1C(OOC(C)(C)CC3N4C(=O)C5CC(CN5C(=O)C4(O)C(O)C2=C13)OC(C)=O)C=C(C)C

InChI Identifier

InChI=1S/C29H35N3O9/c1-14(2)9-22-31-19-10-16(38-6)7-8-18(19)23-24(31)21(12-28(4,5)41-40-22)32-26(35)20-11-17(39-15(3)33)13-30(20)27(36)29(32,37)25(23)34/h7-10,17,20-22,25,34,37H,11-13H2,1-6H3

InChI Key

SVIHNQHJZUQMBA-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
Talaromyces verruculosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Glutamine or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Indolyl carboxylic acid derivative
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Benzenoid
2-pyrrolidone
Pyrrolidone
Substituted pyrrole
Fatty amide
N-acyl-amine
Fatty acyl
Pyrrolidine
Heteroaromatic compound
Pyrrole
Lactam
Secondary carboxylic acid amide
Carboxamide group
Primary carboxylic acid amide
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Azacycle
Carboxylic acid
Organic oxide
Organic nitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
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	1.58	ALOGPS
logP	1.72	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	10.13	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	140 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	143.5 m³·mol⁻¹	ChemAxon
Polarizability	60.17 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

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

157982

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate (NP0164226)

MOL for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

3D MOL for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

3D SDF for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

3D-SDF for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

PDB for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

3D PDB for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

SMILES for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

INCHI for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

Structure for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)

3D Structure for NP0164226 (23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-en-1-yl)-16,22-dioxo-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.0²,⁷.0⁸,²⁵.0¹⁵,²³.0¹⁷,²¹]pentacosa-1(25),2,4,6-tetraen-19-yl acetate)