NP-MRD: Showing NP-Card for 1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione (NP0276412)

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Record Information

Version

2.0

Created at

2022-09-09 00:31:37 UTC

Updated at

2022-09-09 00:31:37 UTC

NP-MRD ID

NP0276412

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione

Description

Anigorootin belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton. Anigorootin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, anigorootin has been detected, but not quantified in, fruits. 1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione is found in Anigozanthos flavidus, Anigozanthos preissii and Wachendorfia thyrsiflora. This could make anigorootin a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 05061306582D          

 44 53  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv0541 05061306582D          

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    3.5669   -1.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853   -0.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9724   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797   -0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632    0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    0.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816   -1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1613    1.1199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9908   -2.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3687    0.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834   -2.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761    0.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761   -2.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 19  7  2  0  0  0  0
 19  8  1  0  0  0  0
 20  9  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 27 21  2  0  0  0  0
 28 22  2  0  0  0  0
 29 23  2  0  0  0  0
 29 27  1  0  0  0  0
 30 24  2  0  0  0  0
 30 28  1  0  0  0  0
 31 25  2  0  0  0  0
 31 27  1  0  0  0  0
 32 26  2  0  0  0  0
 32 28  1  0  0  0  0
 33 31  1  0  0  0  0
 34 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 29  1  0  0  0  0
 36 30  1  0  0  0  0
 37 33  1  0  0  0  0
 37 35  1  0  0  0  0
 38 34  1  0  0  0  0
 38 36  1  0  0  0  0
 39 35  2  0  0  0  0
 40 36  2  0  0  0  0
 41 37  1  0  0  0  0
 42 38  1  0  0  0  0
 43 26  1  0  0  0  0
 43 37  1  0  0  0  0
 44 25  1  0  0  0  0
 44 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0276412

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC12OC3=C4C5C1C1=C(OC5(O)C(=O)C5=C(C=CC(C=C3)=C45)C3=CC=CC=C3)C=CC3=C1C(C2=O)=C(C=C3)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H

> <INCHI_KEY>
YOXXPZVESHZYHK-UHFFFAOYSA-N

> <FORMULA>
C38H22O6

> <MOLECULAR_WEIGHT>
574.5777

> <EXACT_MASS>
574.141638436

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
60.90740498118838

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione

> <ALOGPS_LOGP>
5.44

> <JCHEM_LOGP>
6.999587314666666

> <ALOGPS_LOGS>
-6.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.009910869223111

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.395895647897365

> <JCHEM_PKA_STRONGEST_BASIC>
-4.749074355245808

> <JCHEM_POLAR_SURFACE_AREA>
93.06000000000002

> <JCHEM_REFRACTIVITY>
163.1466

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.68e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      11.097   4.440   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.480  -7.520   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.617   4.013   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.207   3.372   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -7.093   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.589  -6.452   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.247   2.518   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.837   1.877   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.370  -5.598   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.219  -4.957   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.727  -2.608   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.110  -0.472   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.877  -4.530   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.740   1.450   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.097  -1.113   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.480  -1.967   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.398  -4.957   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.219   1.877   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.357   1.450   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.740  -4.530   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.247  -3.035   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.370  -0.045   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.987  -0.045   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.370  -3.035   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.288  -3.889   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.329   0.809   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.138  -1.967   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.480  -1.113   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.508  -0.472   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.110  -2.608   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.658  -2.394   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.959  -0.686   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.548  -1.326   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.069  -1.754   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.398   0.596   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.219  -3.676   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.918   0.169   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.699  -3.249   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       7.768   2.090   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.849  -5.170   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.288   1.663   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       3.329  -4.743   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       4.809   1.236   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.809  -4.316   0.000  0.00  0.00           O+0
CONECT    1    3    4                                                       
CONECT    2    5    6                                                       
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9                                                       
CONECT    6    2   10                                                       
CONECT    7    3   19                                                       
CONECT    8    4   19                                                       
CONECT    9    5   20                                                       
CONECT   10    6   20                                                       
CONECT   11   15   21                                                       
CONECT   12   16   22                                                       
CONECT   13   17   21                                                       
CONECT   14   18   22                                                       
CONECT   15   11   23                                                       
CONECT   16   12   24                                                       
CONECT   17   13   25                                                       
CONECT   18   14   26                                                       
CONECT   19    7    8   23                                                  
CONECT   20    9   10   24                                                  
CONECT   21   11   13   27                                                  
CONECT   22   12   14   28                                                  
CONECT   23   15   19   29                                                  
CONECT   24   16   20   30                                                  
CONECT   25   17   31   44                                                  
CONECT   26   18   32   43                                                  
CONECT   27   21   29   31                                                  
CONECT   28   22   30   32                                                  
CONECT   29   23   27   35                                                  
CONECT   30   24   28   36                                                  
CONECT   31   25   27   33                                                  
CONECT   32   26   28   34                                                  
CONECT   33   31   34   37                                                  
CONECT   34   32   33   38                                                  
CONECT   35   29   37   39                                                  
CONECT   36   30   38   40                                                  
CONECT   37   33   35   41   43                                             
CONECT   38   34   36   42   44                                             
CONECT   39   35                                                            
CONECT   40   36                                                            
CONECT   41   37                                                            
CONECT   42   38                                                            
CONECT   43   26   37                                                       
CONECT   44   25   38                                                       
MASTER        0    0    0    0    0    0    0    0   44    0  106    0
END

View in JSmol

Synonyms

Value	Source
Anigorootin	MeSH

Chemical Formula

C₃₈H₂₂O₆

Average Mass

574.5777 Da

Monoisotopic Mass

574.14164 Da

IUPAC Name

1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione

Traditional Name

1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione

CAS Registry Number

Not Available

SMILES

OC12OC3=C4C5C1C1=C(OC5(O)C(=O)C5=C(C=CC(C=C3)=C45)C3=CC=CC=C3)C=CC3=C1C(C2=O)=C(C=C3)C1=CC=CC=C1

InChI Identifier

InChI=1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H

InChI Key

YOXXPZVESHZYHK-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
Anigozanthos flavidus	LOTUS Database	35616633
Anigozanthos preissii	LOTUS Database	35616633
Wachendorfia thyrsiflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavans

Direct Parent

Isoflavans

Alternative Parents

Substituents

Isoflavan
Phenylnaphthalene
Naphthopyranone
Dibenzopyran
Xanthene
Naphthopyran
Phenalane
Chromane
Benzopyran
Naphthalene
1-benzopyran
Aryl alkyl ketone
Aryl ketone
Pyranone
Benzenoid
Pyran
Monocyclic benzene moiety
Ketone
Hemiacetal
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	5.44	ALOGPS
logP	7	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Acidic)	9.4	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	163.15 m³·mol⁻¹	ChemAxon
Polarizability	60.91 Å³	ChemAxon
Number of Rings	10	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0033185

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB011196

KNApSAcK ID

C00036728

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

78200663

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione (NP0276412)

MOL for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

3D MOL for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

3D SDF for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

3D-SDF for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

PDB for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

3D PDB for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

SMILES for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

INCHI for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

Structure for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)

3D Structure for NP0276412 (1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.1¹⁰,¹⁴.0³,¹².0⁶,¹¹.0¹³,²⁶.0¹⁶,²⁵.0¹⁹,²⁴]octacosa-3,5,7,9,11,16(25),17,19,21,23-decaene-27,28-dione)