1.0
2010-04-08 22:06:45 UTC
2019-11-26 03:00:38 UTC
FDB005582
Isoflavones
Isoflavones are a class of phytochemicals related to the isoflavonoids. Isoflavones are produced almost exclusively by the members of the Fabaceae (i.e., Leguminosae, or bean) family. Soy isoflavones consumption has been related to a lower incidence of breast cancer and other common cancers. [Wikipedia]. Isoflavones is found in soy bean.
Isoflavone
C15H10O2
222.243
222.068079562
3-phenyl-4H-chromen-4-one
isoflavone
574-12-9
O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
GOMNOOKGLZYEJT-UHFFFAOYSA-N
belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
Isoflavones
Organic compounds
Phenylpropanoids and polyketides
Isoflavonoids
Isoflav-2-enes
Aromatic heteropolycyclic compounds
Benzene and substituted derivatives
Chromones
Heteroaromatic compounds
Hydrocarbon derivatives
Organic oxides
Organooxygen compounds
Oxacyclic compounds
Pyranones and derivatives
1-benzopyran
Aromatic heteropolycyclic compound
Benzenoid
Benzopyran
Chromone
Heteroaromatic compound
Hydrocarbon derivative
Isoflavone
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organoheterocyclic compound
Organooxygen compound
Oxacycle
Pyran
Pyranone
Isoflavonoids
a small molecule
isoflavones
logp
3.51
logs
-4.42
solubility
8.43e-03 g/l
logp
3.34
pka_strongest_basic
-5.3
iupac
3-phenyl-4H-chromen-4-one
average_mass
222.243
mono_mass
222.068079562
smiles
O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1
formula
C15H10O2
inchi
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
inchikey
GOMNOOKGLZYEJT-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
65.74
polarizability
23.64
rotatable_bond_count
1
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
26874
Specdb::CMs
113113
Specdb::CMs
126769
Specdb::MsMs
57840
Specdb::MsMs
57841
Specdb::MsMs
57842
Specdb::MsMs
113628
Specdb::MsMs
113629
Specdb::MsMs
113630
Specdb::MsMs
3440626
Specdb::MsMs
3440627
Specdb::MsMs
3440628
Specdb::MsMs
3440629
Specdb::MsMs
3440630
Specdb::MsMs
3440631
Adzuki bean
Type 1
specific
Vigna angularis
3914
0.59
0.59
0.59
mg/100 g
Albacore tuna
Type 1
specific
Thunnus alalunga
8235
0.28
0.28
0.28
mg/100 g
Alfalfa
Type 1
specific
Medicago sativa
3879
0.04
0.04
0.04
mg/100 g
Almond
Type 1
specific
Prunus dulcis
3755
0.01
0.01
0.01
mg/100 g
American cranberry
Type 1
specific
Vaccinium macrocarpon
13750
0.01
0.01
0.01
mg/100 g
Apricot
Type 1
specific
Prunus armeniaca
36596
0.02
0.02
0.02
mg/100 g
Arabica coffee
Type 1
specific
Coffea arabica
13443
0.04
0.04
0.04
mg/100 g
Asparagus
Type 1
specific
Asparagus officinalis
4686
0.03
0.03
0.03
mg/100 g
Baked beans
Type 2
specific
0.01
0.01
0.01
mg/100 g
Barley
Type 1
specific
Hordeum vulgare
4513
0.01
0.01
0.01
mg/100 g
Bean
Type 1
specific
0.01
0.01
0.01
mg/100 g
Biscuit
Type 2
specific
0.03
0.03
0.03
mg/100 g
Black tea
Type 1
0.04
0.05
0.02
mg/100 g
Black-eyed pea
Type 1
specific
Vigna unguiculata ssp. unguiculata
3920
0.03
0.03
0.03
mg/100 g
Blackcurrant
Type 1
specific
Ribes nigrum
78511
0.07
0.07
0.07
mg/100 g
Breakfast cereal
Type 2
specific
0.025
0.03
0.02
mg/100 g
Broad bean
Type 1
specific
Vicia faba
3906
0.96
1.29
0.63
mg/100 g
Broccoli
Type 1
specific
Brassica oleracea var. italica
36774
0.04
0.04
0.04
mg/100 g
Cake
Type 2
specific
0.24
0.28
0.2
mg/100 g
Cashew nut
Type 1
specific
Anacardium occidentale
171929
0.01
0.01
0.01
mg/100 g
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
1.5
1.86
1.14
mg/100 g
Chickpea
Type 1
specific
Cicer arietinum
3827
0.2
0.38
0.02
mg/100 g
Chili
Type 2
specific
2.315
2.43
2.2
mg/100 g
Coconut
Type 1
specific
Cocos nucifera
13894
0.02
0.02
0.02
mg/100 g
Coffee
Type 1
generic
Coffea
13442
0.04
0.04
0.04
mg/100 g
Common bean
Type 1
specific
Phaseolus vulgaris
3885
0.134375
0.59
0.01
mg/100 g
Common grape
Type 1
specific
Vitis vinifera
29760
0.045
0.08
0.01
mg/100 g
Common pea
Type 1
specific
Pisum sativum
3888
0.156667
0.44
0.01
mg/100 g
Common walnut
Type 1
specific
Juglans regia
51240
0.03
0.03
0.03
mg/100 g
Corn
Type 1
specific
Zea mays
4577
0.015
0.02
0.01
mg/100 g
Couscous
Type 2
specific
0.01
0.01
0.01
mg/100 g
Cracker
Type 2
specific
0.01
0.01
0.01
mg/100 g
Crisp bread
Type 2
specific
0.406667
1.19
0.01
mg/100 g
Date
Type 1
specific
Phoenix dactylifera
42345
0.01
0.01
0.01
mg/100 g
European chestnut
Type 1
specific
Castanea sativa
21020
0.01
0.01
0.01
mg/100 g
European plum
Type 1
specific
Prunus domestica
3758
0.02
0.02
0.02
mg/100 g
Fenugreek
Type 1
specific
Trigonella foenum-graecum
78534
0.02
0.02
0.02
mg/100 g
Flaxseed
Type 1
specific
Linum usitatissimum
4006
0.07
0.07
0.07
mg/100 g
Garlic
Type 1
specific
Allium sativum
4682
0.02
0.02
0.02
mg/100 g
Gram bean
Type 1
specific
Vigna mungo
3915
0.02
0.02
0.02
mg/100 g
Grapefruit
Type 1
specific
Citrus X paradisi
37656
0.06
0.06
0.06
mg/100 g
Green tea
Type 1
0.04
0.05
0.02
mg/100 g
Hazelnut
Type 1
specific
Corylus
13450
0.03
0.03
0.03
mg/100 g
Herbal tea
Type 1
0.04
0.05
0.02
mg/100 g
Hummus
Type 2
specific
0.01
0.01
0.01
mg/100 g
Lentils
Type 1
generic
Lens culinaris
3864
0.06
0.06
0.06
mg/100 g
Lima bean
Type 1
specific
Phaseolus lunatus
3884
0.01
0.01
0.01
mg/100 g
Margarine-like spread
Type 2
specific
0.57
0.57
0.57
mg/100 g
Miso
Type 2
specific
27.07
41.45
1.52
mg/100 g
Multigrain bread
Type 2
specific
0.38
0.38
0.38
mg/100 g
Mung bean
Type 1
specific
Vigna radiata
157791
0.066667
0.1
0.01
mg/100 g
Natto
Type 2
specific
82.29
82.29
82.29
mg/100 g
Nutritional drink
Type 2
specific
0.6
0.6
0.6
mg/100 g
Olive
Type 1
specific
Olea europaea
4146
0.04
0.04
0.04
mg/100 g
Other bread product
Type 2
specific
0.55
0.7
0.4
mg/100 g
Other fish product
Type 2
specific
0.1
0.1
0.1
mg/100 g
Other snack food
Type 2
specific
29.646667
54.16
0.1
mg/100 g
Other soy product
Type 2
specific
51.295
131.53
9.13
mg/100 g
Passion fruit
Type 1
specific
Passiflora edulis
78168
0.02
0.02
0.02
mg/100 g
Pasta
Type 2
specific
0.014
0.02
0.01
mg/100 g
Pastry
Type 2
specific
2.457143
5.31
0.47
mg/100 g
Peanut
Type 1
specific
Arachis hypogaea
3818
0.595
2.09
0.01
mg/100 g
Pigeon pea
Type 1
specific
Cajanus cajan
3821
0.56
0.56
0.56
mg/100 g
Pistachio
Type 1
specific
Pistacia vera
55513
3.63
3.63
3.63
mg/100 g
Pizza
Type 2
specific
0.01
0.01
0.01
mg/100 g
Potato
Type 1
specific
Solanum tuberosum
4113
0.01
0.01
0.01
mg/100 g
Red tea
Type 1
0.04
0.05
0.02
mg/100 g
Rice
Type 1
specific
Oryza sativa
4530
0.07
0.07
0.07
mg/100 g
Robusta coffee
Type 1
specific
Coffea canephora
49390
0.04
0.04
0.04
mg/100 g
Salad dressing
Type 2
specific
16.8
16.8
16.8
mg/100 g
Salted butter
Type 1
25.72
25.72
25.72
mg/100 g
Sauce
Type 2
specific
3.483333
9.9
0.2
mg/100 g
Sausage
Type 2
specific
0.916667
1.9
0.15
mg/100 g
Scarlet bean
Type 1
specific
Phaseolus coccineus
3886
0.105
0.12
0.09
mg/100 g
Semolina
Type 2
specific
0.02
0.02
0.02
mg/100 g
Snack bar
Type 2
specific
15.28
26.9
0.13
mg/100 g
Soup
Type 2
specific
0.5825
1.23
0.1
mg/100 g
Soy bean
Type 1
specific
Glycine max
3847
131.4348
650.5
12.5
mg/100 g
Soy milk
Type 2
specific
39.602222
196.05
0.7
mg/100 g
Soy sauce
Type 2
specific
0.64
1.18
0.1
mg/100 g
Soy yogurt
Type 2
specific
24.735
33.17
16.3
mg/100 g
Sweet orange
Type 1
specific
Citrus sinensis
2711
0.01
0.01
0.01
mg/100 g
Sweet potato
Type 1
specific
Ipomoea batatas
4120
0.01
0.01
0.01
mg/100 g
Tea
Type 1
specific
Camellia sinensis
4442
0.04
0.05
0.02
mg/100 g
Thunnus
Type 1
specific
Thunnus
8234
0.09
0.09
0.09
mg/100 g
Tofu
Type 2
specific
29.162941
83.2
13.1
mg/100 g
Vegetable juice
Type 2
specific
0.01
0.01
0.01
mg/100 g
Vegetarian food
Type 2
specific
21.6425
118.5
3.75
mg/100 g
Wheat
Type 1
specific
Triticum
4564
0.025
0.03
0.02
mg/100 g
Wheat bread
Type 2
specific
0.49
1.48
0.02
mg/100 g
White lupine
Type 1
specific
Lupinus albus
3870
0.25
0.25
0.25
mg/100 g
Yogurt
Type 2
specific
24.735
33.17
16.3
mg/100 g
bitter