NP-MRD: Showing NP-Card for (3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol (NP0245452)

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Record Information

Version

2.0

Created at

2022-09-07 06:32:15 UTC

Updated at

2022-09-07 06:32:15 UTC

NP-MRD ID

NP0245452

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol

Description

JBIR-150 belongs to the class of organic compounds known as cyclic carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group), where the carboximidic acid group is part of a cycle. (3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol was first documented in 2018 (PMID: 29348521). Based on a literature review very few articles have been published on JBIR-150.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309072208322D          

 32 32  0  0  0  0            999 V2000
   -0.2535    7.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    6.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    6.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    5.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    5.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    3.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    2.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0026    2.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377    1.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8668    1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2413    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8668   -0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377   -1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742   -2.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   -2.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   -1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421   -0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0325    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711    1.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    3.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    2.9203    0.0000 N   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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
 11 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
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32  9  1  4  0  0  0
M  END


  Mrv1652309072208322D          

 32 32  0  0  0  0            999 V2000
   -0.2535    7.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    6.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    6.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    5.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    5.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    3.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    2.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0026    2.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377    1.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8668    1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2413    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8668   -0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377   -1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742   -2.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896   -2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   -2.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   -1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421   -0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0325    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421    1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711    1.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    3.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    2.9203    0.0000 N   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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
 11 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
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32  9  1  4  0  0  0
M  END
> <DATABASE_ID>
NP0245452

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC\C=C\C=C\CC1C\C=C\C=C(/C)\C=C\CC(O)CC(O)\C=C\C=C\C=C\C(O)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C28H39NO3/c1-3-4-5-6-7-10-18-25-19-14-13-16-24(2)17-15-21-27(31)23-26(30)20-11-8-9-12-22-28(32)29-25/h5-17,20,22,25-27,30-31H,3-4,18-19,21,23H2,1-2H3,(H,29,32)/b6-5+,9-8+,10-7+,14-13+,17-15+,20-11+,22-12+,24-16+

> <INCHI_KEY>
BLUHHIKWCCCMLQ-SLEICQSBSA-N

> <FORMULA>
C28H39NO3

> <MOLECULAR_WEIGHT>
437.624

> <EXACT_MASS>
437.29299412

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
52.70163394638331

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3E,5E,7E,13E,15E,17E)-15-methyl-20-[(2E,4E)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol

> <JCHEM_LOGP>
5.139420132902472

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.628926965492095

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.967893527719357

> <JCHEM_PKA_STRONGEST_BASIC>
6.902637245880913

> <JCHEM_POLAR_SURFACE_AREA>
73.05000000000001

> <JCHEM_REFRACTIVITY>
144.67630000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3E,5E,7E,13E,15E,17E)-15-methyl-20-[(2E,4E)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol

> <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      -0.473  14.932   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.861  14.162   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.861  12.622   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.194  11.852   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.194  10.312   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.528   9.542   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.528   8.002   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.862   7.232   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.862   5.692   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.383   5.451   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.472   4.362   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.844   3.663   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.085   2.142   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.784   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.324   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.085  -0.602   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.844  -2.123   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.755  -3.212   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.383  -3.911   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.859  -5.376   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.862  -4.152   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.341  -3.911   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.641  -5.283   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.252  -2.822   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.879  -2.123   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.639  -0.602   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.061   0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.639   2.142   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.879   3.663   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.968   4.752   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.063   5.998   0.000  0.00  0.00           O+0
HETATM   32  N   UNK     0       3.341   5.451   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   32                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    9                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₉NO₃

Average Mass

437.6240 Da

Monoisotopic Mass

437.29299 Da

IUPAC Name

(3E,5E,7E,13E,15E,17E)-15-methyl-20-[(2E,4E)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol

Traditional Name

(3E,5E,7E,13E,15E,17E)-15-methyl-20-[(2E,4E)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol

CAS Registry Number

Not Available

SMILES

CCC\C=C\C=C\CC1C\C=C\C=C(/C)\C=C\CC(O)CC(O)\C=C\C=C\C=C\C(O)=N1

InChI Identifier

InChI=1S/C28H39NO3/c1-3-4-5-6-7-10-18-25-19-14-13-16-24(2)17-15-21-27(31)23-26(30)20-11-8-9-12-22-28(32)29-25/h5-17,20,22,25-27,30-31H,3-4,18-19,21,23H2,1-2H3,(H,29,32)/b6-5+,9-8+,10-7+,14-13+,17-15+,20-11+,22-12+,24-16+

InChI Key

BLUHHIKWCCCMLQ-SLEICQSBSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group), where the carboximidic acid group is part of a cycle.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboximidic acids and derivatives

Sub Class

Carboximidic acids

Direct Parent

Cyclic carboximidic acids

Alternative Parents

Substituents

Cyclic carboximidic acid
Secondary alcohol
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	5.14	ChemAxon
pKa (Strongest Acidic)	4.97	ChemAxon
pKa (Strongest Basic)	6.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	73.05 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	144.68 m³·mol⁻¹	ChemAxon
Polarizability	52.7 Å³	ChemAxon
Number of Rings	1	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

78443711

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139589500

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kawahara T, Fujiwara T, Kagaya N, Shin-Ya K: JBIR-150, a novel 20-membered polyene macrolactam from marine-derived Streptomyces sp. OPMA00071. J Antibiot (Tokyo). 2018 Mar;71(3):390-392. doi: 10.1038/s41429-017-0010-2. Epub 2018 Jan 18. [PubMed:29348521 ]
LOTUS database [Link]

Showing NP-Card for (3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol (NP0245452)

MOL for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

3D MOL for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

3D SDF for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

3D-SDF for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

PDB for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

3D PDB for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

SMILES for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

INCHI for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

Structure for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)

3D Structure for NP0245452 ((3e,5e,7e,13e,15e,17e)-15-methyl-20-[(2e,4e)-octa-2,4-dien-1-yl]-1-azacycloicosa-1,3,5,7,13,15,17-heptaene-2,9,11-triol)