ent-cassa-12,15-dien-2-one (CHEBI:138969)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	ent-cassa-12,15-dien-2-one

ChEBI ID	CHEBI:138969

ChEBI ASCII Name	ent-cassa-12,15-dien-2-one

Definition	A diterpenoid that is ent-cassa-12,15-diene in which the methylene hydrogens at position 2 have been replaced by a keto group.

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O

Net Charge

Average Mass

286.452

Monoisotopic Mass

286.22967

InChI

InChI=1S/C20H30O/c1-6-14-7-9-17-16(13(14)2)8-10-18-19(3,4)11-15(21)12-20(17,18)5/h6-7,13,16-18H,1,8-12H2,2-5H3/t13-,16-,17-,18-,20+/m1/s1

InChIKey

UAILOMMIENLFJQ-HSJLDRMUSA-N

SMILES

C1C([C@@]2([H])CC[C@@]3([C@@H](C(=CC[C@@]3([H])[C@@]2(CC1=O)C)C=C)C)[H])(C)C

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	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	ent-cassa-12,15-dien-2-one (CHEBI:138969) has parent hydride ent-cassa-12,15-diene (CHEBI:50060) ent-cassa-12,15-dien-2-one (CHEBI:138969) has role plant metabolite (CHEBI:76924) ent-cassa-12,15-dien-2-one (CHEBI:138969) is a cyclic terpene ketone (CHEBI:36130) ent-cassa-12,15-dien-2-one (CHEBI:138969) is a diterpenoid (CHEBI:23849)

IUPAC Name

(5β,8α,9β,10α,14β)-13-ethenyl-14-methylpodocarp-12-en-2-one

Citation	Type	Source
25758958	PubMed citation	SUBMITTER

Last Modified

16 January 2018