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CHEBI:73128 - horminone

ChEBI IDCHEBI:73128
ChEBI Namehorminone
Stars
DefinitionAn abietane diterpenoid that is abieta-8,12-diene substituted by hydroxy groups at positions 7 and 12 and oxo groups at positions 11 and 14 (the 7α stereoisomer) .
Last Modified6 June 2016
Submitternamrata
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12C[C@@H](O)C3=C(C(=O)C(O)=C(C(C)C)C3=O)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21,23H,6-9H2,1-5H3/t11-,12+,20+/m1/s1
InChIKeyYVSUCPNWDPTGKM-JGRMJRGVSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
horminone (CHEBI:73128) has role antibacterial agent (CHEBI:33282)
horminone (CHEBI:73128) has role antineoplastic agent (CHEBI:35610)
horminone (CHEBI:73128) has role metabolite (CHEBI:25212)
horminone (CHEBI:73128) is a p-quinones (CHEBI:25830)
horminone (CHEBI:73128) is a abietane diterpenoid (CHEBI:36762)
horminone (CHEBI:73128) is a hydroxyquinone (CHEBI:132130)
horminone (CHEBI:73128) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
12-methyl-5-dehydrohorminone (CHEBI:66364) has functional parent horminone (CHEBI:73128)
IUPAC Name 
(7α)-7,12-dihydroxyabieta-8,12-diene-11,14-dione
Synonym  Source
4b,5,6,7,8,8a,9,10-Octahydro-3,10-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-1,4-phenanthrenedioneChemIDplus
Registry NumbersSources
Reaxys:2062542Reaxys
CAS:21887-01-4ChemIDplus
Citations