NP-MRD: Showing NP-Card for Ailanthoidol (NP0138503)

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Record Information

Version

2.0

Created at

2022-06-29 17:32:32 UTC

Updated at

2022-06-29 17:32:32 UTC

NP-MRD ID

NP0138503

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ailanthoidol

Description

Ailanthoidol belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Ailanthoidol is found in Zanthoxylum ailanthoides. Ailanthoidol was first documented in 2013 (PMID: 23776398). Based on a literature review a small amount of articles have been published on Ailanthoidol (PMID: 32889048) (PMID: 35563493) (PMID: 34572296) (PMID: 33073572).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.7039   -1.7681   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0734   -0.5323    0.0495 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.3468    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159    0.0412    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    0.9187    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3191    0.5455    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2322    1.3318    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    0.5879    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2314    0.8228    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1668   -0.0779   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6031    0.1139   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1654    1.1996    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6674    1.3662    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2180    0.2307   -0.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569   -1.2619   -0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   -1.5450   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8285   -2.7373   -1.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7109   -3.7298   -1.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4224   -0.6032   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866   -0.5711   -0.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0387    2.1312    1.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    2.4743    1.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3545    1.5653    0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7115    1.8538    1.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5827   -2.4048   -0.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839   -2.2421    0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881   -1.6285   -1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4504   -0.9069   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2122    2.3205    1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453    1.7603    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2691   -0.6516   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5288    1.9815    0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9635    2.2270   -0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9330    1.5279    1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2634    0.2742   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611   -1.9883   -0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -3.4330   -2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1658   -4.6957   -1.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -3.8587   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    2.8440    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493    3.4230    1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9663    2.7483    1.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 16  1  0
 16 15  2  0
 15 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 10  9  2  0
  9  8  1  0
  8 19  2  0
 19 20  1  0
 20  6  1  0
  6  7  2  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  3 23  2  0
 23 24  1  0
 23 22  1  0
 22 21  2  0
 19 16  1  0
 21  5  1  0
  7  8  1  0
 18 37  1  0
 18 38  1  0
 18 39  1  0
 15 36  1  0
 11 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
  9 30  1  0
  7 29  1  0
  4 28  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 24 42  1  0
 22 41  1  0
 21 40  1  0
M  END


  Mrv1652306292219322D          

 24 26  0  0  0  0            999 V2000
    2.5645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368   -1.2375    0.0000 O   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  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
 10 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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0138503

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\CO)=CC2=C1OC(=C2)C1=CC(OC)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O5/c1-22-17-10-13(5-6-15(17)21)16-11-14-8-12(4-3-7-20)9-18(23-2)19(14)24-16/h3-6,8-11,20-21H,7H2,1-2H3/b4-3+

> <INCHI_KEY>
ZDQCRQVGMKIBPN-ONEGZZNKSA-N

> <FORMULA>
C19H18O5

> <MOLECULAR_WEIGHT>
326.348

> <EXACT_MASS>
326.11542368

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
36.07409377968865

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-1-benzofuran-2-yl}-2-methoxyphenol

> <ALOGPS_LOGP>
3.79

> <JCHEM_LOGP>
2.9232537553333326

> <ALOGPS_LOGS>
-3.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.62250454715787

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.445795092928869

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5265166375598103

> <JCHEM_POLAR_SURFACE_AREA>
72.06

> <JCHEM_REFRACTIVITY>
91.95460000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.15e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-1-benzofuran-2-yl}-2-methoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0       4.787   4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.121   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.322   2.016   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.417   0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.322  -0.476   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.877   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.107  -0.564   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.433  -0.564   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.203   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.433   2.104   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.107   2.104   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.743   0.770   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -2.203  -1.897   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.743  -1.897   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.788  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.788  -2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.122  -3.080   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.455  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10    7                                                       
CONECT   12   10   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18   15                                                            
CONECT   19   14   20                                                       
CONECT   20   19                                                            
CONECT   21    5   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₁₈O₅

Average Mass

326.3480 Da

Monoisotopic Mass

326.11542 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

156398-61-7

SMILES

COC1=CC(\C=C\CO)=CC2=C1OC(=C2)C1=CC(OC)=C(O)C=C1

InChI Identifier

InChI=1S/C19H18O5/c1-22-17-10-13(5-6-15(17)21)16-11-14-8-12(4-3-7-20)9-18(23-2)19(14)24-16/h3-6,8-11,20-21H,7H2,1-2H3/b4-3+

InChI Key

ZDQCRQVGMKIBPN-ONEGZZNKSA-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
Zanthoxylum ailanthoides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
2-phenylbenzofuran
Phenylbenzofuran
Cinnamyl alcohol
Methoxyphenol
Benzofuran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Furan
Heteroaromatic compound
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Primary alcohol
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00058351

Chemspider ID

4475887

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5316929

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ochieng CO, Nyongesa DW, Yamo KO, Onyango JO, Langat MK, Manguro LAO: alpha-Amylase and alpha-glucosidase inhibitors from Zanthoxylum chalybeum Engl. root bark. Fitoterapia. 2020 Oct;146:104719. doi: 10.1016/j.fitote.2020.104719. Epub 2020 Sep 2. [PubMed:32889048 ]
Tseng TH, Wang CJ, Lee YJ, Shao YC, Shen CH, Lee KC, Tung SY, Kuo HC: Suppression of the Proliferation of Huh7 Hepatoma Cells Involving the Downregulation of Mutant p53 Protein and Inactivation of the STAT 3 Pathway with Ailanthoidol. Int J Mol Sci. 2022 May 4;23(9):5102. doi: 10.3390/ijms23095102. [PubMed:35563493 ]
Tseng TH, Lee HJ, Lee YJ, Lee KC, Shen CH, Kuo HC: Ailanthoidol, a Neolignan, Suppresses TGF-beta1-Induced HepG2 Hepatoblastoma Cell Progression. Biomedicines. 2021 Aug 30;9(9):1110. doi: 10.3390/biomedicines9091110. [PubMed:34572296 ]
Sivaraman A, Kim JS, Harmalkar DS, Min KH, Park JW, Choi Y, Kim K, Lee K: Synthesis and Cytotoxicity Studies of Bioactive Benzofurans from Lavandula agustifolia and Modified Synthesis of Ailanthoidol, Homoegonol, and Egonol. J Nat Prod. 2020 Nov 25;83(11):3354-3362. doi: 10.1021/acs.jnatprod.0c00697. Epub 2020 Oct 19. [PubMed:33073572 ]
Kim HJ, Jun JG, Kim JK: 2-(4-Hydroxyphenyl)-5-(3-Hydroxypropenyl)-7-Methoxybenzofuran, a Novel Ailanthoidol Derivative, Exerts Anti-Inflammatory Effect through Downregulation of Mitogen-Activated Protein Kinase in Lipopolysaccharide-Treated RAW 264.7 Cells. Korean J Physiol Pharmacol. 2013 Jun;17(3):217-22. doi: 10.4196/kjpp.2013.17.3.217. Epub 2013 Jun 11. [PubMed:23776398 ]

Showing NP-Card for Ailanthoidol (NP0138503)

MOL for NP0138503 (Ailanthoidol)

3D MOL for NP0138503 (Ailanthoidol)

3D SDF for NP0138503 (Ailanthoidol)

3D-SDF for NP0138503 (Ailanthoidol)

PDB for NP0138503 (Ailanthoidol)

3D PDB for NP0138503 (Ailanthoidol)

SMILES for NP0138503 (Ailanthoidol)

INCHI for NP0138503 (Ailanthoidol)

Structure for NP0138503 (Ailanthoidol)

3D Structure for NP0138503 (Ailanthoidol)