1.0
2011-09-21 00:17:54 UTC
2015-10-09 22:29:12 UTC
FDB022684
Corticosterone
An adrenocortical steroid that has modest but significant activities as a mineralocorticoid and a glucocorticoid. (From Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p1437) [HMDB]
(11b)-11,21-Dihydroxypregn-4-ene-3,20-dione
(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione
(11β)-11,21-dihydroxypregn-4-ene-3,20-dione
11-Hydroxycorticoaldosterone
11,21-Dihydroxypregn-4-ene-3,20-dione
11,21-Dihydroxyprogesterone
11b,21-Dihydroxy-4-pregnene-3,20-dione
11b,21-Dihydroxyprogesterone
11beta,21-Dihydroxy-4-pregnene-3,20-dione
11beta,21-Dihydroxyprogesterone
11β,21-dihydroxy-4-pregnene-3,20-dione
11β,21-dihydroxyprogesterone
17-Deoxycortisol
4-Pregnene-11 Corticosteron
Corticosterone
Kendall's compound B
Reichstein's substance H
C21H30O4
346.4605
346.214409448
(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
50-22-6
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
21-hydroxysteroids
Organic compounds
Lipids and lipid-like molecules
Steroids and steroid derivatives
Hydroxysteroids
Aliphatic homopolycyclic compounds
11-beta-hydroxysteroids
20-oxosteroids
3-oxo delta-4-steroids
Alpha-hydroxy ketones
Cyclic alcohols and derivatives
Cyclohexenones
Delta-4-steroids
Gluco/mineralocorticoids, progestogins and derivatives
Hydrocarbon derivatives
Organic oxides
Primary alcohols
Secondary alcohols
11-beta-hydroxysteroid
11-hydroxysteroid
20-oxosteroid
21-hydroxysteroid
3-oxo-delta-4-steroid
3-oxosteroid
Alcohol
Aliphatic homopolycyclic compound
Alpha-hydroxy ketone
Carbonyl group
Cyclic alcohol
Cyclic ketone
Cyclohexenone
Delta-4-steroid
Hydrocarbon derivative
Ketone
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxosteroid
Pregnane-skeleton
Primary alcohol
Progestogin-skeleton
Secondary alcohol
11beta-hydroxy steroid
20-oxo steroid
21-hydroxy steroid
3-oxo steroid
C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C21-steroid
Mineralocorticoids
Pregnane and derivatives [Fig]
glucocorticoid
Solid
logp
2.09
logs
-3.88
solubility
4.60e-02 g/l
logp
2.02
pka_strongest_acidic
13.86
pka_strongest_basic
-0.26
iupac
(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
average_mass
346.4605
mono_mass
346.214409448
smiles
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO
formula
C21H30O4
inchi
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
inchikey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
polar_surface_area
74.6
refractivity
96
polarizability
38.83
rotatable_bond_count
2
acceptor_count
4
donor_count
2
physiological_charge
0
formal_charge
0
Steroidogenesis
SMP00130
map00140
Specdb::EiMs
37
Specdb::NmrTwoD
1671
Specdb::NmrOneD
1730
Specdb::NmrOneD
2404
Specdb::NmrOneD
3095
Specdb::CMs
2274
Specdb::CMs
2276
Specdb::CMs
13260
Specdb::CMs
29606
Specdb::CMs
31343
Specdb::CMs
31344
Specdb::CMs
38119
Specdb::CMs
165453
Specdb::MsMs
1646
Specdb::MsMs
1647
Specdb::MsMs
1648
Specdb::MsMs
5394
Specdb::MsMs
246096
Specdb::MsMs
246097
Specdb::MsMs
246098
Specdb::MsMs
266040
Specdb::MsMs
266041
Specdb::MsMs
266042
Specdb::MsMs
374424
Specdb::MsMs
374817
Specdb::MsMs
441304
Specdb::MsMs
441305
Specdb::MsMs
441306
Specdb::MsMs
441307
Specdb::MsMs
441308
Specdb::MsMs
443896
Specdb::MsMs
443897
Specdb::MsMs
443898
Specdb::MsMs
443899
Specdb::MsMs
443900
Specdb::MsMs
443901
Specdb::MsMs
443902
Specdb::MsMs
443903
HMDB01547
16827
C0R
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Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
3-oxo-5-beta-steroid 4-dehydrogenase
P51857
AKR1D1
Corticosteroid 11-beta-dehydrogenase isozyme 1
P28845
HSD11B1
Cytochrome P450 21-hydroxylase
Q16874
P450-CYP21B
Cytochrome P450, family 21, subfamily A, polypeptide 2
Q08AG9
CYP21A2