UCSF

ZINC04083557

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 26 No

Popular Name: Cortisone Cortisone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1261254-36-7 , 53-06-5 , [53-06-5]

Other Names:

(8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione

11-dehydro-17-hydroxycorticosterone; 17-hydroxy-11-dehydrocorticosterone; 17alpha,21-dihydroxy-4-pregnene-3,11,20-trione; 4-pregnene-17alpha,21-diol-3,11,20-trione; Cortison; Delta(4)-pregnene-17alpha,21-diol-3,11,20-trione; Kortison; Wintersteiner's comp

11-Dehydro-17-hydroxycorticosterone; 17-Hydroxy-11-dehydrocorticosterone; 17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione; 17alpha-Hydroxy-11-dehydrocorticosterone; 4-Pregnene-17alpha,21-diol-3,11,20-trione; AI3-52938; Adrenalex; Adreson; Andreson; C21H28O

17,21-Dihydroxypregn-4-ene-3,11,20-trione

17,21-dihydroxypregn-4-ene-3,11,20-trione; 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione; 17alpha-Hydroxy-11-dehydrocorticosterone; 4-Pregnene-17alpha,21-diol-3,11,20-trione; CORT; Cortisone; Kendall's Compound E; Reichstein's Substance Fa; [3H]-cortison

17-Hydroxy-11-dehydrocorticosterone

17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione; 53-06-5; C00762; Cortisone; Kendall's compound E; Reichstein's substance Fa

17alpha,21-dihydroxypregn-4-ene-3,11,20-trione

53-06-5; Cortisone (INN); Cortisone (TN); D07749

53-06-5; Cortisone; Prestwick_132

Andreson; Anusol HC; Balneol-Hc; Colocort; Compound E; Corlin; Cortadren; Cortandren; Cortef; Cortef Acetate; Cortisal; Cortisate; Cortison; Cortisone Acetate; Cortistal; Cortivite; Cortogen; Cortone; Cortril; Dermacort; Dricort; Flexicort; Florinef; Flud

Andreson;Anusol HC;Balneol-Hc;beta-Hc;Colocort;Compound E;Corlin;Cortadren;Cortandren;Cortef;Cortef Acetate;Cortisal;Cortisate;Cortison;Cortisone Acetate;Cortistal;Cortivite;Cortogen;Cortone;Cortril;Dermacort;Dricort;Flexicort;Florinef;Fludrocortisone Ace

Andreson;Anusol HC;Balneol-Hc;Colocort;Compound E;Corlin;Cortadren;Cortandren;Cortef;Cortef Acetate;Cortisal;Cortisate;Cortison;Cortisone Acetate;Cortistal;Cortivite;Cortogen;Cortone;Cortril;Dermacort;Dricort;Flexicort;Florinef;Fludrocortisone Acetate;Gly

BRD-K43736954-001-03-3

CHEBI:23397; CHEBI:14026; CHEBI:3896

Cortisone-[2H7]

CORTISONE; CPD000058334; SAM001246882

CPD000058334; CORTISONE

CPD000058334; Cortisone; SAM001246882

Kendall's compound E

MFCD00003610

Reichstein's Substance Fa

Wintersteiner's compound F

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 4.68 -14.19 2 5 0 92 360.45 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_use . ZereneX Building Blocks
UniProt Database Links 5BPOR_DIGLA; AK1D1_HUMAN; AK1D1_MOUSE; AK1D1_RABIT; AK1D1_RAT; DHI1_CAVPO; DHI1_HUMAN; DHI1_MESAU; DHI1_MOUSE; DHI1_RABIT; DHI1_SAISC; DHI2_BOVIN; DHI2_HUMAN; DHI2_MOUSE; DHI2_RABIT; DHI2_RAT; DHI2_SHEEP; G6PE_HUMAN ChEBI
mechanism ACTH secretion inhibitor IBScreen Bioactives
biological_source Adrenal cortical hormone ZereneX Building Blocks
biological_use Antiinflammatory agent IBScreen Bioactives
mechanism Calcium mobilizer IBScreen Bioactives
mechanism Corticosteroid IBScreen Bioactives IBScreen Bioactives
Patent Database Links EP0769300; EP1438962; EP1637126; EP1659172; EP1688161; EP1759700; EP1854458; EP1864668; EP1867321; EP1870092; EP1913942; EP1920773; EP1955693; EP1955710; EP1955711; EP1975620; EP1980257; GB2321455; US2001006962; US2002147336; US2003023104; US2003153544; U ChEBI
mechanism Gluconeogenesis promoter IBScreen Bioactives
mechanism Glycogen deposition inhibitor IBScreen Bioactives
biological_use Immunosuppressive IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : C2755 NIH Clinical Collection via PubChem
mechanism Phosphorus mobilizer IBScreen Bioactives
Reactome Database Links REACT_10043 ChEBI
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: C2755 NIH Clinical Collection via PubChem
PUBCHEM_PATENT_ID US4879379 IBM Patent Data
biological_use Used in rheumatoid arthritis and rheumatic fever therapy IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Glucocorticoid biosynthesis

Analogs ( Draw Identity 99% 90% 80% 70% )