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CHEBI:70570 - 12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene

Default Structure
ChEBI IDCHEBI:70570
ChEBI Name12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene
Stars
DefinitionA tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Last Modified14 April 2015
DownloadsMolfile
FormulaC19H22O2
Net Charge0
Average Mass282.383
Monoisotopic Mass282.16198
SMILESCC(C)c1cc2ccc3c(c2cc1O)C(=O)CCC3(C)C
InChIInChI=1S/C19H22O2/c1-11(2)13-9-12-5-6-15-18(14(12)10-17(13)21)16(20)7-8-19(15,3)4/h5-6,9-11,21H,7-8H2,1-4H3
InChIKeyAFWOWWKSKVECMQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fraxinus sieboldiana (ncbitaxon:490850) stem (BTO:0001300) PubMed (20961093) Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene (CHEBI:70570) has role plant metabolite (CHEBI:76924)
12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene (CHEBI:70570) is a cyclic terpene ketone (CHEBI:36130)
12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene (CHEBI:70570) is a phenols (CHEBI:33853)
12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene (CHEBI:70570) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-2,3-dihydrophenanthren-4(1H)-one
Registry NumbersSources
Reaxys:21097451Reaxys
Citations