1.0 2011-09-21 01:44:49 UTC 2020-04-21 18:03:17 UTC FDB028777 (22alpha)-Hydroxy-campest-4-en-3-one 22alpha-Hydroxy-campest-4-en-3-one is involved in the brassinosteroid biosynthesis pathway. 22alpha-Hydroxy-campest-4-en-3-one is created from either campest-4-en-3-one or 22alpha-Hydroxy-campesterol, through the actions of steroid 22-alpha-hydroxylase [EC:1.14.13.-] or Sax1, respectively. 22alpha-Hydroxy-campest-4-en-3-one is then converted to 22alpha-Hydroxy-5alpha-campestan-3-one by steroid reductase DET2 [EC:1.3.99.-]. [HMDB] (22S,24R)-22-Hydroxy-ergost-4-en-3-one (22S)-22-Hydroxy-campest-4-en-3-one C28H46O2 414.6636 414.349780716 (2R,15S)-14-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one (2R,15S)-14-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one CC(C)[C@H](C)C[C@H](O)[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22?,23?,24?,25?,26+,27+,28-/m1/s1 FMFAICDKESPFNH-HSKWBYRYSA-N belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. Monohydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 3-oxo delta-4-steroids Cyclohexenones Delta-4-steroids Ergosterols and derivatives Hydrocarbon derivatives Hydroxysteroids Organic oxides Secondary alcohols 22-hydroxysteroid 3-oxo-delta-4-steroid 3-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Delta-4-steroid Ergostane-skeleton Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Ketone Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Solid logp 5.13 ALOGPS logs -6.40 ALOGPS solubility 1.64e-04 g/l ALOGPS logp 6.66 ChemAxon pka_strongest_acidic 19.09 ChemAxon pka_strongest_basic -0.68 ChemAxon iupac (2R,15S)-14-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one ChemAxon average_mass 414.6636 ChemAxon mono_mass 414.349780716 ChemAxon smiles CC(C)[C@H](C)C[C@H](O)[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H46O2 ChemAxon inchi InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22?,23?,24?,25?,26+,27+,28-/m1/s1 ChemAxon inchikey FMFAICDKESPFNH-HSKWBYRYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 125.71 ChemAxon polarizability 51.61 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18615 Specdb::CMs 39817 Specdb::MsMs 307306 Specdb::MsMs 307307 Specdb::MsMs 307308 Specdb::MsMs 351226 Specdb::MsMs 351227 Specdb::MsMs 351228 HMDB12113 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