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CHEBI:70044 - Pregna-1,4,20-trien-3-one

ChEBI IDCHEBI:70044
ChEBI NamePregna-1,4,20-trien-3-one
Stars
DefinitionA natural product found in Carijoa multiflora and Carijoa species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H28O
Net Charge0
Average Mass296.454
Monoisotopic Mass296.21402
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C=C)CC[C@@]21[H]
InChIInChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,9,11,13-14,17-19H,1,5-8,10,12H2,2-3H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKeyKFTYFBOHSUEIEJ-NWSAAYAGSA-N
Species of MetaboliteComponentSourceComments
Carijoa (ncbitaxon:360971)
- PubMed (21235217) Acetone extract of fresh sample
- PubMed (21235217)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Pregna-1,4,20-trien-3-one (CHEBI:70044) has role metabolite (CHEBI:25212)
Pregna-1,4,20-trien-3-one (CHEBI:70044) is a corticosteroid hormone (CHEBI:36699)
Citations