NP-MRD: Showing NP-Card for ficusal (NP0351164)

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Record Information

Version

2.0

Created at

2025-06-24 17:44:57 UTC

Updated at

2025-07-09 04:35:23 UTC

NP-MRD ID

NP0351164

Natural Product DOI

https://doi.org/10.57994/4153

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ficusal

Description

FICUSAL belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. ficusal was first documented in 2011 (PMID: 21284381). Based on a literature review a small amount of articles have been published on FICUSAL (PMID: 30205569) (PMID: 35178984) (PMID: 27798974).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.3215   -1.9834   -0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518   -1.2117    0.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527   -0.1911    0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5524    0.0743   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6382    1.0552    0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4695    1.3904   -0.6368 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6649    1.5932    0.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361    0.5477    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6062    0.1977    0.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9568    0.9388    2.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533    0.5416    2.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3274   -0.9264    0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0153   -1.6938   -0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7972   -2.8656   -0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7622   -3.1897   -0.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412   -1.2996   -1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821   -0.1850   -0.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159    0.4466   -1.6573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4582    1.1366   -2.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213    1.9928   -2.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    1.8238    1.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450    1.5922    2.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8374    0.5868    1.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9458    0.3120    2.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -2.3801   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966   -1.4146   -1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0152   -2.8472   -0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184   -0.5322   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6448    2.4015   -1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -0.4097    3.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3168    1.2991    3.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9537    0.4029    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807   -1.2143    1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523   -3.4592   -1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6726   -1.8774   -2.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662   -0.3584   -1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8386    0.3236   -3.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124    1.6366   -3.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985    2.1273   -3.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1878    2.6229    1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1260    2.1872    3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    0.8088    3.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6 18  1  0
 18 19  1  0
 19 20  1  0
 18 17  1  0
 17 16  2  0
 16 13  1  0
 13 14  1  0
 14 15  2  0
 13 12  2  0
  6  5  1  0
  5 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
  3  2  1  0
  2  1  1  0
  3  4  2  0
 12  9  1  0
  4  5  1  0
 17  8  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
  6 29  1  6
 18 36  1  6
 19 37  1  0
 19 38  1  0
 20 39  1  0
 16 35  1  0
 14 34  1  0
 12 33  1  0
 21 40  1  0
 22 41  1  0
 24 42  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
M  END


  Mrv1652309122202002D          

 24 26  0  0  1  0            999 V2000
   -2.6462    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -0.6979    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
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
  5 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351164

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2O[C@H]([C@H](CO)C2=CC(C=O)=C1)C1=CC=C(O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H18O6/c1-22-15-7-11(3-4-14(15)21)17-13(9-20)12-5-10(8-19)6-16(23-2)18(12)24-17/h3-8,13,17,20-21H,9H2,1-2H3/t13-,17+/m1/s1

> <INCHI_KEY>
FHRVWMUANLCTEE-DYVFJYSZSA-N

> <FORMULA>
C18H18O6

> <MOLECULAR_WEIGHT>
330.336

> <EXACT_MASS>
330.1103383

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
34.27439579396557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde

> <JCHEM_LOGP>
1.7031486723333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.17139217240625

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.909972147594551

> <JCHEM_PKA_STRONGEST_BASIC>
-2.72383411790765

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
87.90639999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.940   1.365   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.400   1.365   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.630   0.031   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.090   0.031   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.126  -0.057   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.924   1.777   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.258   2.547   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.591  -2.843   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.925  -2.073   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.143  -4.334   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.090  -2.637   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.630  -2.637   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.400  -1.303   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.940  -1.303   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   17                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16    8   18                                                  
CONECT   18   17    6   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21    5   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22    3   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

C₁₈H₁₈O₆

Average Mass

330.3360 Da

Monoisotopic Mass

330.11034 Da

IUPAC Name

(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde

Traditional Name

(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde

CAS Registry Number

Not Available

SMILES

COC1=C2O[C@H]([C@H](CO)C2=CC(C=O)=C1)C1=CC=C(O)C(OC)=C1

InChI Identifier

InChI=1S/C18H18O6/c1-22-15-7-11(3-4-14(15)21)17-13(9-20)12-5-10(8-19)6-16(23-2)18(12)24-17/h3-8,13,17,20-21H,9H2,1-2H3/t13-,17+/m1/s1

InChI Key

FHRVWMUANLCTEE-DYVFJYSZSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	101131@hrbmu.edu.cn	Harbin Medical University	Libo Wang	2025-06-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	101131@hrbmu.edu.cn	Harbin Medical University	Libo Wang	2025-06-24	View Spectrum

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
Solanum Solanum verbascifolium L.		Not Available

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
Neolignan skeleton
Methoxyphenol
Coumaran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Aryl-aldehyde
Phenol
Monocyclic benzene moiety
Benzenoid
Ether
Oxacycle
Organoheterocyclic compound
Aldehyde
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
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
logP	1.7	ChemAxon
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	87.91 m³·mol⁻¹	ChemAxon
Polarizability	34.27 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00032977

Chemspider ID

8672042

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10496641

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Chang FP, Chao W, Wang SY, Huang HC, Sung PJ, Chen JJ, Cheng MJ, Huang GJ, Kuo YH: Three New Iridoid Derivatives Have Been Isolated from the Stems of Neonauclea reticulata (Havil.) Merr. with Cytotoxic Activity on Hepatocellular Carcinoma Cells. Molecules. 2018 Sep 8;23(9). pii: molecules23092297. doi: 10.3390/molecules23092297. [PubMed:30205569 ]
Zhang H, Chen Y, Li XB, Deng WX, Wang MY: [Active constituents of Urtica fissa in inhibition of benign prostatic hyperplasia]. Zhongguo Zhong Yao Za Zhi. 2022 Jan;47(2):419-427. doi: 10.19540/j.cnki.cjcmm.20211011.202. [PubMed:35178984 ]
Xu FQ, Fan WW, Zi CT, Dong FW, Yang D, Zhou J, Hu JM: Four new glycosides from the stems of Dendrobium fimbriatum Hook. Nat Prod Res. 2017 Apr;31(7):797-801. doi: 10.1080/14786419.2016.1247076. Epub 2016 Oct 31. [PubMed:27798974 ]
Chung CP, Hsu CY, Lin JH, Kuo YH, Chiang W, Lin YL: Antiproliferative lactams and spiroenone from adlay bran in human breast cancer cell lines. J Agric Food Chem. 2011 Feb 23;59(4):1185-94. doi: 10.1021/jf104088x. Epub 2011 Feb 1. [PubMed:21284381 ]

Showing NP-Card for ficusal (NP0351164)

MOL for NP0351164 (ficusal)

3D MOL for NP0351164 (ficusal)

3D SDF for NP0351164 (ficusal)

3D-SDF for NP0351164 (ficusal)

PDB for NP0351164 (ficusal)

3D PDB for NP0351164 (ficusal)

SMILES for NP0351164 (ficusal)

INCHI for NP0351164 (ficusal)

Structure for NP0351164 (ficusal)

3D Structure for NP0351164 (ficusal)