CHEBI:138970 - ent-3β-hydroxycassa-12,15-dien-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ent-3β-hydroxycassa-12,15-dien-2-one
ChEBI ID CHEBI:138970
ChEBI ASCII Name ent-3beta-hydroxycassa-12,15-dien-2-one
Definition A diterpenoid that is ent-cassa-12,15-diene carrying oxo and hydroxy substituents at positions 2 and 3β respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H30O2
Net Charge 0
Average Mass 302.452
Monoisotopic Mass 302.22458
InChI InChI=1S/C20H30O2/c1-6-13-7-9-15-14(12(13)2)8-10-17-19(3,4)18(22)16(21)11-20(15,17)5/h6-7,12,14-15,17-18,22H,1,8-11H2,2-5H3/t12-,14-,15-,17-,18-,20+/m1/s1
InChIKey RKUSAVLJYNJIBF-NOZYNBGTSA-N
SMILES [C@@H]1(C([C@@]2([H])CC[C@@]3([C@@H](C(=CC[C@@]3([H])[C@@]2(CC1=O)C)C=C)C)[H])(C)C)O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) has role plant metabolite (CHEBI:76924)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a cyclic terpene ketone (CHEBI:36130)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a diterpenoid (CHEBI:23849)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a secondary α-hydroxy ketone (CHEBI:2468)
ent-3β-hydroxycassa-12,15-dien-2-one (CHEBI:138970) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3α,5β,8α,9β,10α,14β)-13-ethenyl-3-hydroxy-14-methylpodocarp-12-en-2-one
Synonym Source
ent-3β-hydroxycassa-12,15-dien-2-one UniProt
Manual Xref Database
CPD-20325 MetaCyc
View more database links
Citation Waiting for Citations Type Source
25758958 PubMed citation SUBMITTER
Last Modified
06 February 2018