1.0
2010-04-08 22:05:29 UTC
2020-02-24 19:11:08 UTC
FDB002713
Malvidin
Occurs free and as glycosides in a wide variety of foodstuffs especies blueberries, raspberries and red wine. Apparently present as free aglycone in Lathyrus sativus (chickling pea)
Malvidin is an anthocyanidin. As a primary plant pigment, its glycosides are highly abundant in nature. It is primarily responsible for the color of red wine, Vitis vinifera being one of its sources. Malvidin is a biomarker for the consumption of blueberries
. Malvidin is found in many foods, some of which are fruits, pulses, highbush blueberry, and common grape.
3,4',5,7-Tetrahydroxy-3',5'-dimethoxy-flavylium chloride
3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium chloride
3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrilium(1+), 9CI
3',5'-Dimethoxy-3,4',5,7-tetrahydroxyflavylium acid anion
3',5'-Dimethyldelphinidin
Denidin
Enidin
Malvidin
Malvidol
Malvinidin
Oenidin
Primulidin
Syringidin
Syringidin chloride
C17H15O7
331.2968
331.081777834
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium
643-84-5
COC1=CC(=CC(OC)=C1O)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
KZMACGJDUUWFCH-UHFFFAOYSA-O
Liquid
logp
1.98
logs
-4.20
solubility
2.31e-02 g/l
melting_point
>300 oC
logp
2.83
pka_strongest_acidic
5.99
pka_strongest_basic
-4.6
iupac
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambda4-chromen-1-ylium
average_mass
331.2968
mono_mass
331.081777834
smiles
COC1=CC(=CC(OC)=C1O)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1
formula
C17H15O7
inchi
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
inchikey
KZMACGJDUUWFCH-UHFFFAOYSA-O
polar_surface_area
112.52
refractivity
95.06
polarizability
33.09
rotatable_bond_count
3
acceptor_count
7
donor_count
4
physiological_charge
-1
formal_charge
1
Specdb::CMs
5701
Specdb::CMs
54364
Specdb::NmrOneD
287355
Specdb::NmrOneD
287356
Specdb::NmrOneD
287357
Specdb::NmrOneD
287358
Specdb::NmrOneD
287359
Specdb::NmrOneD
287360
Specdb::NmrOneD
287361
Specdb::NmrOneD
287362
Specdb::NmrOneD
287363
Specdb::NmrOneD
287364
Specdb::NmrOneD
287365
Specdb::NmrOneD
287366
Specdb::NmrOneD
287367
Specdb::NmrOneD
287368
Specdb::NmrOneD
287369
Specdb::NmrOneD
287370
Specdb::NmrOneD
287371
Specdb::NmrOneD
287372
Specdb::NmrOneD
287373
Specdb::NmrOneD
287374
Specdb::MsMs
91056
Specdb::MsMs
91057
Specdb::MsMs
91058
Specdb::MsMs
154359
Specdb::MsMs
154360
Specdb::MsMs
154361
Specdb::MsMs
1479281
Specdb::MsMs
1479379
HMDB03201
#<Reference:0x00005556744f91e0>
#<Reference:0x00005556744f9028>
#<Reference:0x00005556744f8e70>
#<Reference:0x00005556744f8cb8>
#<Reference:0x00005556744f8ad8>
#<Reference:0x00005556744f88f8>
Alcoholic beverages
Unknown
generic
Allium
Type 1
specific
Allium
4678
0.0
0.0
0.0
mg/100 g
Almond
Type 1
specific
Prunus dulcis
3755
0.0
0.0
0.0
mg/100 g
American cranberry
Type 1
specific
Vaccinium macrocarpon
13750
0.31
0.31
0.31
mg/100 g
Apple
Type 1
specific
Malus pumila
283210
0.0
0.0
0.0
mg/100 g
Avocado
Type 1
specific
Persea americana
3435
0.0
0.0
0.0
mg/100 g
Banana
Type 1
specific
Musa acuminata
4641
0.0
0.0
0.0
mg/100 g
Bilberry
Type 1
specific
Vaccinium myrtillus
180763
39.22
39.22
39.22
mg/100 g
Black chokeberry
Type 1
specific
Photinia melanocarpa
661339
1.22
1.22
1.22
mg/100 g
Brazil nut
Type 1
specific
Bertholletia excelsa
3645
0.0
0.0
0.0
mg/100 g
Broccoli
Type 1
specific
Brassica oleracea var. italica
36774
0.0
0.0
0.0
mg/100 g
Carrot
Type 1
specific
Daucus carota ssp. sativus
79200
0.0
0.0
0.0
mg/100 g
Cashew nut
Type 1
specific
Anacardium occidentale
171929
0.0
0.0
0.0
mg/100 g
Colorado pinyon
Type 1
specific
Pinus edulis
3340
0.0
0.0
0.0
mg/100 g
Common bean
Type 1
specific
Phaseolus vulgaris
3885
5.355
10.61
0.1
mg/100 g
Common grape
Type 1
specific
Vitis vinifera
29760
0.0
0.0
0.0
mg/100 g
Common pea
Type 1
specific
Pisum sativum
3888
Common walnut
Type 1
specific
Juglans regia
51240
0.0
0.0
0.0
mg/100 g
Cowpea
Type 1
specific
Vigna unguiculata
3917
34.28
34.28
34.28
mg/100 g
Date
Type 1
specific
Phoenix dactylifera
42345
0.0
0.0
0.0
mg/100 g
European plum
Type 1
specific
Prunus domestica
3758
0.0
0.0
0.0
mg/100 g
Fig
Type 1
specific
Ficus carica
3494
0.0
0.0
0.0
mg/100 g
French plantain
Type 1
specific
Musa X paradisiaca
89151
Fruits
Unknown
generic
Garden tomato
Type 1
specific
Solanum lycopersicum
4081
0.0
0.0
0.0
mg/100 g
Globe artichoke
Type 1
specific
Cynara scolymus
59895
0.0
0.0
0.0
mg/100 g
Grape
Type 1
specific
Vitis
3603
14.065
39.0
0.08
mg/100 g
Grape wine
Type 2
specific
37.58875
121.65
0.0
mg/100 g
Grapefruit
Type 1
specific
Citrus X paradisi
37656
0.0
0.0
0.0
mg/100 g
Grass pea
Type 1
specific
Lathyrus sativus
3860
Hazelnut
Type 1
specific
Corylus
13450
0.0
0.0
0.0
mg/100 g
Highbush blueberry
Type 1
specific
Vaccinium corymbosum
69266
Java plum
Type 1
specific
Syzygium cumini
260142
12.55
12.55
12.55
mg/100 g
Kiwi
Type 1
specific
Actinidia chinensis
3625
0.0
0.0
0.0
mg/100 g
Lettuce
Type 1
specific
Lactuca sativa
4236
0.0
0.0
0.0
mg/100 g
Macadamia nut
Type 1
specific
Macadamia
4329
0.0
0.0
0.0
mg/100 g
Muskmelon
Type 1
specific
Cucumis melo
3656
0.0
0.0
0.0
mg/100 g
Nectarine
Type 1
specific
Prunus persica var. nucipersica
323851
0.0
0.0
0.0
mg/100 g
Peach
Type 1
specific
Prunus persica
3760
0.0
0.0
0.0
mg/100 g
Peanut
Type 1
specific
Arachis hypogaea
3818
0.0
0.0
0.0
mg/100 g
Pear
Type 1
specific
Pyrus communis
23211
0.0
0.0
0.0
mg/100 g
Pecan nut
Type 1
specific
Carya illinoinensis
32201
0.0
0.0
0.0
mg/100 g
Pineapple
Type 1
specific
Ananas comosus
4615
0.0
0.0
0.0
mg/100 g
Pistachio
Type 1
specific
Pistacia vera
55513
0.0
0.0
0.0
mg/100 g
Pomegranate
Type 1
specific
Punica granatum
22663
0.0
0.0
0.0
mg/100 g
Potato
Type 1
specific
Solanum tuberosum
4113
0.0
0.0
0.0
mg/100 g
Prunus (Cherry, Plum)
Type 1
specific
Prunus
3754
0.0
0.0
0.0
mg/100 g
Pulses
Unknown
generic
Radish
Type 1
specific
Raphanus sativus
3726
0.0
0.0
0.0
mg/100 g
Rapini
Type 1
specific
Brassica ruvo
1204434
0.0
0.0
0.0
mg/100 g
Rubus (Blackberry, Raspberry)
Type 1
specific
Rubus
23216
0.065
0.13
0.0
mg/100 g
Saffron
Type 1
specific
Crocus sativus
82528
Saskatoon berry
Type 1
specific
Amelanchier alnifolia
32219
10.59
10.59
10.59
mg/100 g
Sea-buckthornberry
Type 1
specific
Hippophae rhamnoides
193516
0.02
0.02
0.02
mg/100 g
Strawberry
Type 1
specific
Fragaria X ananassa
3747
0.01
0.01
0.01
mg/100 g
Sweet cherry
Type 1
specific
Prunus avium
42229
0.0
0.0
0.0
mg/100 g
Sweet orange
Type 1
specific
Citrus sinensis
2711
0.0
0.0
0.0
mg/100 g
Vaccinium (Blueberry, Cranberry, Huckleberry)
Type 1
specific
Vaccinium
13749
47.57
67.59
0.0
mg/100 g
Vinegar
Type 2
specific
0.43
0.43
0.43
mg/100 g
Watermelon
Type 1
specific
Citrullus lanatus
3654
0.0
0.0
0.0
mg/100 g
Wheat
Type 1
specific
Triticum
4564
4.02
4.02
4.02
mg/100 g
Wild celery
Type 1
specific
Apium graveolens
4045
0.0
0.0
0.0
mg/100 g
anti fertility
276
anti periodontal
514
anti plaque
531
antioxidant
502
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
pigment
1227
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
prooxidant
1252