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

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ChEBI Name 12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene
ChEBI ID CHEBI:70570
Definition A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000066102567
Download Molfile XML SDF
Formula C19H22O2
Net Charge 0
Average Mass 282.37680
Monoisotopic Mass 282.16198
InChI InChI=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
InChIKey AFWOWWKSKVECMQ-UHFFFAOYSA-N
SMILES CC(C)c1cc2ccc3c(C(=O)CCC3(C)C)c2cc1O
Metabolite of Species Details
Fraxinus sieboldiana (NCBI:txid490850) Found in stem (BTO:0001300). Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21097451 Reaxys Registry Number Reaxys
Citation
Last Modified
14 April 2015