NP-MRD: Showing NP-Card for Cucurbitacin D (NP0052177)

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Record Information

Version

2.0

Created at

2022-04-27 23:19:46 UTC

Updated at

2022-04-27 23:19:46 UTC

NP-MRD ID

NP0052177

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cucurbitacin D

Description

Cucurbitacin D, also known as elatericin a, belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Thus, cucurbitacin D is considered to be a sterol. Cucurbitacin D is found in Acanthosicyos horridus, Begonia heracleifolia, Begonia parviflora, Bryonia cretica, Bryonia dioica , Bryonia verrucosa, Citrullus colocynthis , Cogniauxia podolaena, Crinodendron hookerianum, Cucumis sativus, Cucumis spp., Cucurbita foetidissima, Cucurbita maxima, Cucurbita pepo, Cucurbitaceae, Datisca glomerata, Ecballium elaterium, Elaeocarpus chinensis, Elaeocarpus hainanensis, Elaeocarpus mastersii, Gonystylus keithii, Helicteres angustifolia , Iberis spp., Iberis umbellata, Leucopaxillus gentianeus, Luffa operculata, Neoalsomitra clavigera, Physocarpus opulifolius, Sloanea zuliaensis, Trichosanthes kirilowii, Trichosanthes multiloba, Trichosanthes tricuspidata and Wilbrandia ebracteata. Cucurbitacin D was first documented in 2009 (PMID: 19185617). Based on a literature review a small amount of articles have been published on cucurbitacin D (PMID: 20926322).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282201192D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304282201192D          

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    0.9796   -4.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -3.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -3.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -0.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109   -1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5607    0.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0307   -0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5466   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5311    1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8025    2.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026   -0.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  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
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  1  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 20 29  1  1  0  0  0
 20 30  1  1  0  0  0
 18 31  1  6  0  0  0
 16 32  1  6  0  0  0
 15 33  1  1  0  0  0
  9 34  1  1  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  1 37  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0052177

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1

> <INCHI_KEY>
SRPHMISUTWFFKJ-QJNWWGCFSA-N

> <FORMULA>
C30H44O7

> <MOLECULAR_WEIGHT>
516.675

> <EXACT_MASS>
516.308703757

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
56.59332886868308

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,4S,10S,11S,13R,14R,15R)-14-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,17-dione

> <ALOGPS_LOGP>
3.11

> <JCHEM_LOGP>
2.6919595889999988

> <ALOGPS_LOGS>
-4.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.479513393282375

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.799964237430462

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8062198825595894

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
141.89180000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.45e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4S,10S,11S,13R,14R,15R)-14-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      11.519  -0.407   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.042   1.041   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      13.558   1.312   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      11.049   2.218   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.533   1.947   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.541   3.125   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.025   2.854   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.502   1.405   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.494   0.228   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.010   0.499   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.003  -0.678   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.971  -1.221   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.964  -2.398   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.455  -1.492   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.462  -0.314   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.986   1.134   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.770   2.079   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.495   1.215   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.923  -0.264   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.978  -1.480   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.033  -2.696   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.493  -2.485   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.613  -4.122   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.668  -5.338   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.248  -6.765   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.829  -8.191   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.178  -7.345   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.675  -6.184   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.762  -0.535   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.194  -2.425   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.047   1.738   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.355   2.629   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.791  -1.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.487  -0.949   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.191   3.252   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.831   3.743   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.512  -1.585   0.000  0.00  0.00           O+0
CONECT    1    2   11   37                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   35   36                                             
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10   12   34                                             
CONECT   10    9    5   11                                                  
CONECT   11   10    1                                                       
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   19   33                                             
CONECT   16   15    8   17   32                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   31                                                  
CONECT   19   18   15   20                                                  
CONECT   20   19   21   29   30                                             
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
CONECT   29   20                                                            
CONECT   30   20                                                            
CONECT   31   18                                                            
CONECT   32   16                                                            
CONECT   33   15                                                            
CONECT   34    9                                                            
CONECT   35    4                                                            
CONECT   36    4                                                            
CONECT   37    1                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
(23E)-2beta,16alpha,20,25- Tetrahydroxy-9beta-methyl-19-nor-10alpha-lanosta-5,23-diene-3,11,22-trione	ChEBI
(23E)-2beta,16alpha,20,25-Tetrahydroxy-10alpha-cucurbita-5,23-diene-3,11,22-trione	ChEBI
Elatericin a	ChEBI
Elatericine a	ChEBI
(23E)-2b,16a,20,25- Tetrahydroxy-9b-methyl-19-nor-10a-lanosta-5,23-diene-3,11,22-trione	Generator
(23E)-2Β,16α,20,25- tetrahydroxy-9β-methyl-19-nor-10α-lanosta-5,23-diene-3,11,22-trione	Generator
(23E)-2b,16a,20,25-Tetrahydroxy-10a-cucurbita-5,23-diene-3,11,22-trione	Generator
(23E)-2Β,16α,20,25-tetrahydroxy-10α-cucurbita-5,23-diene-3,11,22-trione	Generator
23,24-Dihydro-cucurbitacin D	MeSH

Chemical Formula

C₃₀H₄₄O₇

Average Mass

516.6750 Da

Monoisotopic Mass

516.30870 Da

IUPAC Name

(1R,2R,4S,10S,11S,13R,14R,15R)-14-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,17-dione

Traditional Name

(1R,2R,4S,10S,11S,13R,14R,15R)-14-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,17-dione

CAS Registry Number

Not Available

SMILES

CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

InChI Identifier

InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1

InChI Key

SRPHMISUTWFFKJ-QJNWWGCFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Acanthosicyos horridus	LOTUS Database	35616633
Begonia heracleifolia	LOTUS Database	35616633
Begonia parviflora	LOTUS Database	35616633
Bryonia cretica	LOTUS Database	35616633
Bryonia dioica	Plant	KNApSAcK
Bryonia verrucosa	LOTUS Database	35616633
Citrullus colocynthis	Plant	KNApSAcK
Cogniauxia podolaena	LOTUS Database	35616633
Crinodendron hookerianum	Plant	KNApSAcK
Cucumis sativus	LOTUS Database	35616633
Cucumis spp.	Plant	KNApSAcK
Cucurbita foetidissima	LOTUS Database	35616633
Cucurbita maxima	LOTUS Database	35616633
Cucurbita pepo	LOTUS Database	35616633
Cucurbitaceae	-	KNApSAcK
Datisca glomerata	LOTUS Database	35616633
Ecballium elaterium	LOTUS Database	35616633
Elaeocarpus chinensis	LOTUS Database	35616633
Elaeocarpus hainanensis	LOTUS Database	35616633
Elaeocarpus mastersii	Plant	KNApSAcK
Gonystylus keithii	LOTUS Database	35616633
Helicteres angustifolia	Plant	KNApSAcK
Iberis spp.	Plant	KNApSAcK
Iberis umbellata	LOTUS Database	35616633
Leucopaxillus gentianeus	Fungi	KNApSAcK
Luffa operculata	LOTUS Database	35616633
Neoalsomitra clavigera	LOTUS Database	35616633
Physocarpus opulifolius	Plant	KNApSAcK
Sloanea zuliaensis	Plant	KNApSAcK
Trichosanthes kirilowii	LOTUS Database	35616633
Trichosanthes multiloba	LOTUS Database	35616633
Trichosanthes tricuspidata	LOTUS Database	35616633
Wilbrandia ebracteata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cucurbitacins

Direct Parent

Cucurbitacins

Alternative Parents

Substituents

Cucurbitacin skeleton
Triterpenoid
25-hydroxysteroid
22-oxosteroid
21-oxosteroid
20-hydroxysteroid
14-alpha-methylsteroid
2-hydroxysteroid
Hydroxysteroid
3-oxo-delta-5-steroid
11-oxosteroid
Oxosteroid
3-oxosteroid
16-alpha-hydroxysteroid
16-hydroxysteroid
Delta-5-steroid
Acyloin
Alpha,beta-unsaturated ketone
Alpha-hydroxy ketone
Tertiary alcohol
Cyclic alcohol
Enone
Acryloyl-group
Cyclic ketone
Secondary alcohol
Ketone
Organic oxide
Alcohol
Organic oxygen compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

cucurbitacin (CHEBI:3943 )
Cholesterol and derivatives (C08796 )
Cycloartane (C08796 )
Cholesterol and derivatives (LMST01010106 )

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	3.11	ALOGPS
logP	2.69	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	12.8	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	132.13 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	141.89 m³·mol⁻¹	ChemAxon
Polarizability	56.59 Å³	ChemAxon
Number of Rings	4	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

C00003685

Chemspider ID

4444695

KEGG Compound ID

C08796

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cucurbitacin D

METLIN ID

Not Available

PubChem Compound

5281318

PDB ID

Not Available

ChEBI ID

3943

Good Scents ID

rw1701391

References

General References

Takahashi N, Yoshida Y, Sugiura T, Matsuno K, Fujino A, Yamashita U: Cucurbitacin D isolated from Trichosanthes kirilowii induces apoptosis in human hepatocellular carcinoma cells in vitro. Int Immunopharmacol. 2009 Apr;9(4):508-13. doi: 10.1016/j.intimp.2009.01.006. Epub 2009 Jan 29. [PubMed:19185617 ]
Liu K, Xing H, Zhang S, Liu Sm, Fung Mc: Cucurbitacin D induces fetal hemoglobin synthesis in K562 cells and human hematopoietic progenitors through activation of p38 pathway and stabilization of the gamma-globin mRNA. Blood Cells Mol Dis. 2010 Dec 15;45(4):269-75. doi: 10.1016/j.bcmd.2010.09.004. Epub 2010 Oct 6. [PubMed:20926322 ]

Showing NP-Card for Cucurbitacin D (NP0052177)

MOL for NP0052177 (Cucurbitacin D)

3D MOL for NP0052177 (Cucurbitacin D)

3D SDF for NP0052177 (Cucurbitacin D)

3D-SDF for NP0052177 (Cucurbitacin D)

PDB for NP0052177 (Cucurbitacin D)

3D PDB for NP0052177 (Cucurbitacin D)

SMILES for NP0052177 (Cucurbitacin D)

INCHI for NP0052177 (Cucurbitacin D)

Structure for NP0052177 (Cucurbitacin D)

3D Structure for NP0052177 (Cucurbitacin D)