EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190265 - Condurangogenin C

ChEBI IDCHEBI:190265
ChEBI NameCondurangogenin C
Stars
Last Modified16 March 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O7
Net Charge0
Average Mass540.697
Monoisotopic Mass540.30870
SMILES[H][C@@]12CC[C@@]3([H])[C@@]4(O)CC[C@H](C(C)O)[C@@]4(C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H](OC(C)=O)[C@]3([H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C32H44O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(38-20(2)34)29(31(24,32)4)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,19,22-25,27-29,33,35,37H,11-12,14-18H2,1-4H3/b13-10+/t19?,22-,23-,24+,25+,27+,28-,29+,30-,31-,32-/m0/s1
InChIKeyNUPFZNSJJIZBGR-DSXGPZHDSA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
Roles Classification
Biological Role:
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)
Condurangogenin C (CHEBI:190265) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-11-acetyloxy-3,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
30790847ChemSpider
C17766KEGG COMPOUND