1.0
2011-09-21 00:07:41 UTC
2015-07-21 06:56:57 UTC
FDB022053
5a-Tetrahydrocorticosterone
5a-tetrahydrocorticosterone is highly sensitive to adrenocorticotropic hormone (ACTH) secretion. High levels of 5a-Tetrahydrocorticosterone are a warning sign of hypertension.
(PMID: 16597193,7473516 ) [HMDB]
3a,11b,21-Trihydroxy-5a-pregnan-20-one
3a,5a-Tetrahydrocorticosterone
5a-Pregnane-3a,11b,21-triol-20-one
Allotetrahydrocorticosterone
C21H34O4
350.4923
350.245709576
1-[(1S,2S,5R,7S,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-hydroxyethan-1-one
allotetrahydrocorticosterone
600-63-5
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1
RHQQHZQUAMFINJ-NZTKVECHSA-N
Solid
logp
2.07
logs
-3.47
solubility
1.20e-01 g/l
logp
1.86
pka_strongest_acidic
13.86
pka_strongest_basic
-0.25
iupac
1-[(1S,2S,5R,7S,10S,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-hydroxyethan-1-one
average_mass
350.4923
mono_mass
350.245709576
smiles
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
formula
C21H34O4
inchi
InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1
inchikey
RHQQHZQUAMFINJ-NZTKVECHSA-N
polar_surface_area
77.76
refractivity
96.2
polarizability
40.16
rotatable_bond_count
2
acceptor_count
4
donor_count
3
physiological_charge
0
formal_charge
0
Specdb::CMs
23742
Specdb::CMs
37543
Specdb::CMs
157581
Specdb::CMs
1062827
Specdb::CMs
1062829
Specdb::CMs
1062831
Specdb::CMs
1062833
Specdb::CMs
1062834
Specdb::CMs
1062837
Specdb::CMs
1062839
Specdb::CMs
1062841
Specdb::CMs
1062843
Specdb::CMs
1062845
Specdb::CMs
1062847
Specdb::CMs
1062849
Specdb::CMs
1062851
Specdb::CMs
1062853
Specdb::CMs
1062855
Specdb::CMs
1062857
Specdb::CMs
1062859
Specdb::CMs
1062861
Specdb::CMs
1062863
Specdb::CMs
1062865
Specdb::CMs
1062867
Specdb::CMs
1062869
Specdb::MsMs
46275
Specdb::MsMs
46276
Specdb::MsMs
46277
Specdb::MsMs
123666
Specdb::MsMs
123667
Specdb::MsMs
123668
Specdb::MsMs
2272866
Specdb::MsMs
2272867
Specdb::MsMs
2272868
Specdb::MsMs
3068629
Specdb::MsMs
3068630
Specdb::MsMs
3068631
HMDB00449
#<Reference:0x0000555676120418>
#<Reference:0x0000555676120198>
#<Reference:0x000055567611fe28>
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