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CHEBI:68867 - rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide

ChEBI IDCHEBI:68867
ChEBI Namerel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide
Stars
ASCII Namerel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide
DefinitionA cembrane diterpenoid that is cembra-2E,7E,11Z-trien-20,10-olide substituted by a hydroxy group at position 4. It has been isolated from the leaves of Croton gratissimus.
Last Modified30 September 2013
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@]12C=C(CC[C@H](C(C)C)/C=C/[C@@](C)(O)CC/C=C(\C)C1)C(=O)O2
InChIInChI=1S/C20H30O3/c1-14(2)16-7-8-17-13-18(23-19(17)21)12-15(3)6-5-10-20(4,22)11-9-16/h6,9,11,13-14,16,18,22H,5,7-8,10,12H2,1-4H3/b11-9+,15-6+/t16-,18+,20-/m0/s1
InChIKeyKLOZYZWTTNSEEN-IBKADNNNSA-N
Species of MetaboliteComponentSourceComments
Croton gratissimus (ncbitaxon:316784)
stem (BTO:0001300) PubMed (22032651) Previous component: stem bark; Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves
leaf (BTO:0000713) PubMed (22032651) Combined hexane,methylene chloride,ethyl acetate and methanol extract of Ground leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68867) has role metabolite (CHEBI:25212)
rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68867) is a cembrane diterpenoid (CHEBI:60687)
rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68867) is a diterpene lactone (CHEBI:49193)
rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68867) is a macrocycle (CHEBI:51026)
rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide (CHEBI:68867) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4R*,5E,7S*,10E,13R*)-7-hydroxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one
Citations