NP-MRD: Showing NP-Card for Delphinidin (NP0045985)

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Record Information

Version

2.0

Created at

2022-03-17 19:46:29 UTC

Updated at

2022-03-17 19:46:29 UTC

NP-MRD ID

NP0045985

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Delphinidin

Description

Delphinidin is found in Abutilon theophrasti, Antirrhinum majus , Calluna vulgaris, Capsicum annuum , Ephedra andina, Euscaphis konishii, Ginkgo biloba , Hamamelis virginiana, Koenigia coriaria, Lathyrus clymenum, Lathyrus nissolia, Lavandula angustifolia, Lotus uliginosus, Matthiola incana, Medicago arabica, Medicago truncatula, Nympaea spp., Petunia hybrida, Pinus brutia, Rhododendron rubiginosum, Salix caprea, Salix triandra, Schoenus brevifolius, Solanum tuberosum subsp. Andigena , Taxus chinensis, Taxus fuana, Taxus yunnanensis, Vicia faba, Zea mays and Zingiber mioga . Delphinidin was first documented in 2002 (PMID: 11906973).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309152000132D          

 22 24  0  0  0  0            999 V2000
10001.0894 9998.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2338 9997.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.806110002.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.2374 9999.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.802510000.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.237410001.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.233810000.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5193 9999.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5192 9998.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2337 9998.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.661310000.1874    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
 9998.9468 9999.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9468 9998.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6613 9998.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3758 9998.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3758 9999.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.519910001.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.805510001.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.090910001.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.090910000.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8053 9999.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.519910000.1931    0.0000 C   0  0  0  0  0  0  0  0  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  2  1  0  0  0  0
  8  5  1  0  0  0  0
 12 13  1  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
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
  1 15  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 16 20  1  0  0  0  0
 18  3  1  0  0  0  0
 22  4  1  0  0  0  0
 17  6  1  0  0  0  0
M  CHG  1  11   1
M  END
> <DATABASE_ID>
NP0045985

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1

> <INCHI_KEY>
JKHRCGUTYDNCLE-UHFFFAOYSA-O

> <FORMULA>
C15H11O7

> <MOLECULAR_WEIGHT>
303.2436

> <EXACT_MASS>
303.050477706

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
29.025667879318775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
2.7659

> <ALOGPS_LOGS>
-3.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.774949095281735

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.98281104030415

> <JCHEM_PKA_STRONGEST_BASIC>
-5.871441762515588

> <JCHEM_POLAR_SURFACE_AREA>
134.52

> <JCHEM_REFRACTIVITY>
86.09399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.08e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-SEP-20         0                                  
HETATM    1  O   UNK     0    8668.7008663.930   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8663.3708662.380   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.0388670.879   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8672.7108666.253   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8660.6988667.027   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8672.7108669.337   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8663.3708667.016   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8662.0368666.246   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8662.0368664.706   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8663.3708663.936   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8666.0348667.016   0.000  0.00  0.00           O+1
HETATM   12  C   UNK     0    8664.7018666.246   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8664.7018664.706   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8666.0348663.936   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8667.3688664.706   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8667.3688666.246   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8671.3708668.567   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8670.0378669.337   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8668.7038668.567   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8668.7038667.027   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8670.0378666.257   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8671.3708667.027   0.000  0.00  0.00           C+0
CONECT    1   15                                                            
CONECT    2   10                                                            
CONECT    3   18                                                            
CONECT    4   22                                                            
CONECT    5    8                                                            
CONECT    6   17                                                            
CONECT    7    8   12                                                       
CONECT    8    7    9    5                                                  
CONECT    9    8   10                                                       
CONECT   10    9    2   13                                                  
CONECT   11   12   16                                                       
CONECT   12   13   11    7                                                  
CONECT   13   12   14   10                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16    1                                                  
CONECT   16   15   11   20                                                  
CONECT   17   18   22    6                                                  
CONECT   18   17   19    3                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   16                                                  
CONECT   21   20   22                                                       
CONECT   22   21   17    4                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
3,3',4',5,5',7-Hexahydroxyflavylium	ChEBI
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride	Kegg
Chlorure de 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium	Kegg
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyryliumchlorid	Kegg
3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride	Kegg
3,3',4',5,5',7-Hexahydroxyflavylium chloride	Kegg
Delfinidol chloride	Kegg
Delphinidin chloride	Kegg
Delphinidine	Kegg
Delphinidol	Kegg
Ephdine	Kegg
IdB 1056	Kegg
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium	HMDB
Delphinidin	HMDB

Chemical Formula

C₁₅H₁₁O₇

Average Mass

303.2436 Da

Monoisotopic Mass

303.05048 Da

IUPAC Name

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

Traditional Name

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium

CAS Registry Number

528-53-0

SMILES

OC1=CC(O)=C2C=C(O)C(=[O+]C2=C1)C1=CC(O)=C(O)C(O)=C1

InChI Identifier

InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1

InChI Key

JKHRCGUTYDNCLE-UHFFFAOYSA-O

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
Abutilon theophrasti	LOTUS Database	35616633
Actinidia chinensis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium cepa	FooDB	USDA
Allium cepa L.	FooDB	USDA
Amelanchier alnifolia	FooDB	USDA
Anacardium occidentale	FooDB	USDA
Ananas comosus	FooDB	USDA
Antirrhinum majus	Plant	KNApSAcK
Apium graveolens	FooDB	USDA
Arachis hypogaea	FooDB	USDA
Bertholletia excelsa	FooDB	USDA
Borago officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea	FooDB	USDA
Brassica oleracea var. italica	FooDB	USDA
Brassica rapa	FooDB	USDA
Brassica ruvo	FooDB	USDA
Calluna vulgaris	LOTUS Database	35616633
Capsicum annuum	Plant	KNApSAcK
Carya illinoinensis	FooDB	USDA
Cichorium intybus	FooDB	USDA
Citrullus lanatus	FooDB	USDA
Citrus paradisi	FooDB	USDA
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	USDA
Colocasia esculenta	FooDB	USDA
Corylus	FooDB	USDA
Crocus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucumis melo	FooDB	USDA
Cynara scolymus	FooDB	USDA
Daucus carota ssp. sativus	FooDB	USDA
Diospyros virginiana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ephedra andina	LOTUS Database	35616633
Euscaphis konishii	Plant	KNApSAcK
Ficus carica	FooDB	USDA
Fragaria x ananassa	FooDB	USDA
Ginkgo biloba	Plant	KNApSAcK
Gossypium	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hamamelis virginiana	LOTUS Database	35616633
Hibiscus sabbariffa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hippophae rhamnoides	FooDB	USDA
Ipomoea batatas	FooDB	USDA
Juglans regia	FooDB	USDA
Koenigia coriaria	LOTUS Database	35616633
Lactuca sativa	FooDB	USDA
Lathyrus clymenum	LOTUS Database	35616633
Lathyrus nissolia	LOTUS Database	35616633
Lavandula angustifolia	LOTUS Database	35616633
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lotus uliginosus	LOTUS Database	35616633
Macadamia	FooDB	USDA
Malus pumila	FooDB	USDA
Mangifera indica	FooDB	USDA
Matthiola incana	LOTUS Database	35616633
Medicago arabica	Plant	KNApSAcK
Medicago truncatula	Plant	KNApSAcK
Musa acuminata	FooDB	USDA
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Myristica fragrans	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Nympaea spp.	-	KNApSAcK
Oenothera biennis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Persea americana	FooDB	USDA
Petunia x hybrida	Plant	KNApSAcK
Phaseolus vulgaris	FooDB	USDA
Phoenix dactylifera	FooDB	USDA
Photinia melanocarpa	FooDB	USDA
Pinus brutia	LOTUS Database	35616633
Pinus edulis	FooDB	USDA
Pistacia vera	FooDB	USDA
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus avium	FooDB	USDA
Prunus avium L.	FooDB	USDA
Prunus domestica	FooDB	USDA
Prunus dulcis	FooDB	USDA
Prunus persica	FooDB	USDA
Prunus persica var. nucipersica	FooDB	USDA
Punica granatum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pyrus communis	FooDB	USDA
Raphanus sativus	FooDB	USDA
Rhododendron rubiginosum	LOTUS Database	35616633
Ribes nigrum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ribes rubrum	FooDB	USDA
Ribes uva-crispa	FooDB	USDA
Rubus idaeus	FooDB	PHYTOHUB
Salix caprea	LOTUS Database	35616633
Salix triandra	LOTUS Database	35616633
Sambucus nigra L.	FooDB	USDA
Schoenus brevifolius	LOTUS Database	35616633
Solanum lycopersicum	FooDB	USDA
Solanum melongena	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum tuberosum	FooDB	USDA
Solanum tuberosum subsp. Andigena	Plant	KNApSAcK
Syzygium cumini	FooDB	USDA
Taxus chinensis	Plant	KNApSAcK
Taxus fuana	Plant	KNApSAcK
Taxus wallichiana var. yunnanensis	Plant	KNApSAcK
Triticum	FooDB	USDA
Vaccinium	FooDB	USDA
Vaccinium corymbosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium macrocarpon	FooDB	USDA
Vaccinium myrtillus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vicia faba	LOTUS Database	35616633
Vigna unguiculata	FooDB	USDA
Vigna unguiculata var. sesquipedalis	FooDB	USDA
Vitis	FooDB	PHYTOHUB
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zea mays L.	Plant	KNApSAcK
Zingiber mioga	Plant	KNApSAcK
Zingiber officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Hydroxyflavonoids

Direct Parent

7-hydroxyflavonoids

Alternative Parents

Substituents

3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Anthocyanidin
1-benzopyran
Benzopyran
Pyrogallol derivative
Benzenetriol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

anthocyanidin cation (CHEBI:28436 )
Anthocyanidins (C05908 )
Anthocyanidins (LMPK12010001 )

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	2.07	ALOGPS
logP	2.77	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	5.98	ChemAxon
pKa (Strongest Basic)	-5.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	134.52 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	86.09 m³·mol⁻¹	ChemAxon
Polarizability	29.03 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0003074

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Delphinidin

METLIN ID

3432

PubChem Compound

128853

PDB ID

Not Available

ChEBI ID

28436

Good Scents ID

Not Available

References

General References

Martin S, Andriambeloson E, Takeda K, Andriantsitohaina R: Red wine polyphenols increase calcium in bovine aortic endothelial cells: a basis to elucidate signalling pathways leading to nitric oxide production. Br J Pharmacol. 2002 Mar;135(6):1579-87. doi: 10.1038/sj.bjp.0704603. [PubMed:11906973 ]
Martin S, Giannone G, Andriantsitohaina R, Martinez MC: Delphinidin, an active compound of red wine, inhibits endothelial cell apoptosis via nitric oxide pathway and regulation of calcium homeostasis. Br J Pharmacol. 2003 Jul;139(6):1095-102. doi: 10.1038/sj.bjp.0705347. [PubMed:12871827 ]
Afaq F, Syed DN, Malik A, Hadi N, Sarfaraz S, Kweon MH, Khan N, Zaid MA, Mukhtar H: Delphinidin, an anthocyanidin in pigmented fruits and vegetables, protects human HaCaT keratinocytes and mouse skin against UVB-mediated oxidative stress and apoptosis. J Invest Dermatol. 2007 Jan;127(1):222-32. doi: 10.1038/sj.jid.5700510. Epub 2006 Aug 10. [PubMed:16902416 ]
Bin Hafeez B, Asim M, Siddiqui IA, Adhami VM, Murtaza I, Mukhtar H: Delphinidin, a dietary anthocyanidin in pigmented fruits and vegetables: a new weapon to blunt prostate cancer growth. Cell Cycle. 2008 Nov 1;7(21):3320-6. doi: 10.4161/cc.7.21.6969. Epub 2008 Nov 9. [PubMed:18948740 ]
Tsuyuki S, Fukui S, Watanabe A, Akune S, Tanabe M, Yoshida K: Delphinidin induces autolysosome as well as autophagosome formation and delphinidin-induced autophagy exerts a cell protective role. J Biochem Mol Toxicol. 2012 Nov;26(11):445-53. doi: 10.1002/jbt.21443. Epub 2012 Nov 5. [PubMed:23129091 ]

Showing NP-Card for Delphinidin (NP0045985)

MOL for NP0045985 (Delphinidin)

3D MOL for NP0045985 (Delphinidin)

3D SDF for NP0045985 (Delphinidin)

3D-SDF for NP0045985 (Delphinidin)

PDB for NP0045985 (Delphinidin)

3D PDB for NP0045985 (Delphinidin)

SMILES for NP0045985 (Delphinidin)

INCHI for NP0045985 (Delphinidin)

Structure for NP0045985 (Delphinidin)

3D Structure for NP0045985 (Delphinidin)