4-Androsten-3,17-dione
PubChem CID: 2193
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| Compound Synonyms | 4-Androsten-3,17-dione, CHEMBL274826, androstenedione-d7, NCIOpen2_003213, SCHEMBL9926734, HMS1648G10, SCA03485, BDBM50025428, AKOS001580988, AKOS017258742, NCGC00015109-02, NCGC00015109-03, NCGC00015109-04, LS-14731, DB-054395, AB01334090-02, 2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione, (8R,9R,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione, 10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione, androstenedione, androst-4-ene-3,17-dione, 4-androstene-3,17-dione (androstenedione), androstenedione androst-4-ene-3,17-dione 4-androstene-3,17-dione (androstenedione) |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Pathway Kegg Map Id | map00150 |
| Description | A delta-4 19-carbon steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. It is the common precursor of male and female sex hormones. Some androstenedione is also secreted into the plasma, and may be converted in peripheral tissues to testosterone and estrogens. Androstenedione originates either from the conversion of dehydroepiandrosterone or from 17-hydroxyprogesterone. It is further converted to either testosterone or estrone. The production of adrenal androstenedione is governed by ACTH, while production of gonadal androstenedione is under control by gonadotropins. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P51857, P31213, P18405, P37058, P10275, P41159, A0N0X8, Q1HB44, Q9H8P0, Q6NWU0 |
| Iupac Name | 10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione |
| Prediction Hob | 0.0 |
| Class | Steroids and steroid derivatives |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Androstane steroids |
| Molecular Formula | C19H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEMFNILZOJDQLW-UHFFFAOYSA-N |
| Fcsp3 | 0.7894736842105263 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | (4)-Androsten-3,17-dione, [4-14C]-Androstenedione, [4-14C]Androst-4-ene-3,17-dione, 17-Ketotestosterone, 3,17-Dioxoandrost-4-ene, 4-Androsten-3,17-dione, 4-ANDROSTENE-3-17-dione, 4-Androstene-3,17-dione, 4-Androstenedione, Androst-4-ene-3,17-dione, Androstendione, D4-Androstene-3,17-dione, Delta(4)-Androsten-3,17-dione, Delta(4)-Androstene-3,17-dione, Delta4-Androstenedione, Fecundin, δ(4)-androsten-3,17-dione, δ(4)-androstene-3,17-dione |
| Substituent Name | Androgen-skeleton, Oxosteroid, 17-oxosteroid, 3-oxosteroid, 3-oxo-delta-4-steroid, Delta-4-steroid, Cyclic ketone, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic homopolycyclic compound |
| Compound Name | 4-Androsten-3,17-dione |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.348273 |
| Inchi | InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3 |
| Smiles | CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients