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CHEBI:73128 - horminone

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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