10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 86705
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| Compound Synonyms | 5alpha-Androstenone, DTXSID80860220, SCHEMBL15261670, PD014165, DB-049952, NS00009595, BRD-A64011898-001-01-0 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Description | Androgen metabolite which causes ``boar taint'' in pigmeat products. 5alpha-Androst-16-en-3-one is found in wild celery, parsnip, and animal foods. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 464.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Androstane steroids |
| Molecular Formula | C19H28O |
| Inchi Key | HFVMLYAGWXSTQI-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | (5alpha)-androst-16-en-3-one, 16-(5alpha)Androsten-3-one, 3-Keto-5alpha,16-androstene, 5ALPHA-ANDROST-16-EN-3-ONE, androst-16-en-3-one, Androstenone, 5a-Androst-16-en-3-one, 5Α-androst-16-en-3-one, (5alpha)-Androst-16-en-3-one, Androst-16-en-3-one, 5 alpha-Androst-16-en-3-one, Androst-16-en-3-one, (5beta)-isomer, AEON steroid, 5alpha-Androst-16-en-3-one |
| Compound Name | 10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one |
| Kingdom | Organic compounds |
| Exact Mass | 272.214 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 272.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 272.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3 |
| Smiles | CC12CCC3C(C1CC=C2)CCC4C3(CCC(=O)C4)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Androgens and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all