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CHEBI:140188 - 2α-hydroxy-ent-isokaurene

ChEBI IDCHEBI:140188
ChEBI Name2α-hydroxy-ent-isokaurene
Stars
ASCII Name2alpha-hydroxy-ent-isokaurene
DefinitionAn ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries an α-configured hydroxy group at C-2.
Last Modified26 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@@]12CC[C@@H]3C[C@]1(C=C3C)CC[C@]1([H])C(C)(C)C[C@H](O)C[C@@]21C
InChIInChI=1S/C20H32O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h9,14-17,21H,5-8,10-12H2,1-4H3/t14-,15+,16-,17+,19-,20-/m1/s1
InChIKeyKMRGROLDAASNIW-UELOQWINSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) - PubMed (21985968)
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)
2α-hydroxy-ent-isokaurene (CHEBI:140188) has role plant metabolite (CHEBI:76924)
2α-hydroxy-ent-isokaurene (CHEBI:140188) is a ent-kaurane diterpenoid (CHEBI:36760)
IUPAC Name 
(2S,4aR,6aS,9R,11aS,11bR)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,9,10,11,11a,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalen-2-ol
Synonyms  Source
ent-2β-hydroxyisokaureneChEBI
ent-isokauren-2β-olMetaCyc
5β,8α,9β,10α,13α-kaur-15-en-2α-olIUPAC
UniProt Name  Source
ent-isokauren-2β-olUniProt
Manual XrefsDatabases
CPD-20323MetaCyc
Citations