1.0
2011-09-21 00:17:19 UTC
2015-07-21 06:57:17 UTC
FDB022642
Epipregnanolone
A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties. It is a substrate of the enzyme 3beta-hydroxy-5beta-steroid dehydrogenase (EC 1.1.1.277). [HMDB]
(3b,5b)-3-Hydroxypregnan-20-one
(3beta,5beta)-3-Hydroxypregnan-20-one
(3β,5β)-3-hydroxypregnan-20-one
3-Deoxo-3b-hydroxy-5b-dihydroprogesterone
3b-Hydroxy-5b-pregnan-20-one
3b-Hydroxy-5b-pregnane-20-one
3b-Hydroxy-5b-tetrahydroprogesterone
3b,5b-Pregnanolone
3beta-Hydroxy-5beta-pregnane-20-one
3beta-Hydroxy-5beta-tetrahydroprogesterone
3β-hydroxy-5β-pregnane-20-one
3β-hydroxy-5β-tetrahydroprogesterone
5b-Pregnan-3b-ol-20-one
5b-Pregnane-3b-hydroxy-20-one
5b-Pregnane-3b-ol-20-one
Pregnanolone I
C21H34O2
318.4935
318.255880332
1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one
1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethanone
128-21-2
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
AURFZBICLPNKBZ-GRWISUQFSA-N
Solid
logp
4.28
logs
-5.37
solubility
1.36e-03 g/l
logp
3.99
pka_strongest_acidic
18.3
pka_strongest_basic
-1.4
iupac
1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one
average_mass
318.4935
mono_mass
318.255880332
smiles
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C
formula
C21H34O2
inchi
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
inchikey
AURFZBICLPNKBZ-GRWISUQFSA-N
polar_surface_area
37.3
refractivity
92.91
polarizability
38.26
rotatable_bond_count
1
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::MsMs
314359
Specdb::MsMs
314360
Specdb::MsMs
314361
Specdb::MsMs
360088
Specdb::MsMs
360089
Specdb::MsMs
360090
Specdb::MsMs
2804478
Specdb::MsMs
2804479
Specdb::MsMs
2804480
Specdb::MsMs
2874086
Specdb::MsMs
2874087
Specdb::MsMs
2874088
Specdb::CMs
21751
Specdb::CMs
31920
Specdb::CMs
38084
Specdb::CMs
99687
Specdb::CMs
146099
HMDB01471
16229
#<Reference:0x0000555675dccf50>
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