7-dehydroabietanone (CHEBI:70574)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	7-dehydroabietanone

ChEBI ID	CHEBI:70574

Definition	An abietane diterpenoid that is abieta-8,11,13-triene substituted by an oxo group at position 7. It has been isolated from the stem bark of Fraxinus sieboldiana.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O

Net Charge

Average Mass

284.43570

Monoisotopic Mass

284.21402

InChI

InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1

InChIKey

ISHVJVXYPLFKAL-AZUAARDMSA-N

SMILES

CC(C)c1ccc2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C

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.

ChEBI Ontology
Outgoing	7-dehydroabietanone (CHEBI:70574) has role plant metabolite (CHEBI:76924) 7-dehydroabietanone (CHEBI:70574) is a abietane diterpenoid (CHEBI:36762) 7-dehydroabietanone (CHEBI:70574) is a tricyclic diterpenoid (CHEBI:79084)

IUPAC Name

abieta-8,11,13-trien-7-one

Registry Number	Type	Source
2129489	Reaxys Registry Number	Reaxys

Citation	Type	Source
20961093	PubMed citation	Europe PMC

Last Modified

14 April 2015