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CHEBI:66394 - minheryin G

ChEBI IDCHEBI:66394
ChEBI Nameminheryin G
Stars
DefinitionAn ent-kaurane diterpenoid isolated from Isodon henryi and has been shown to exhibit cytotoxic activity.
Last Modified10 April 2013
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILES[H][C@@]12CC[C@@]3([H])C(=C)C(=O)[C@]1([C@H](O)C[C@]1([H])C(C)(C)[C@@H](O)C[C@H](O)[C@@]21C)[C@@H]3O
InChIInChI=1S/C20H30O5/c1-9-10-5-6-11-19(4)12(18(2,3)13(21)8-14(19)22)7-15(23)20(11,16(9)24)17(10)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11-,12+,13-,14-,15+,17+,19-,20-/m0/s1
InChIKeyFURKNFFYNZCRQG-AMIFZCDKSA-N
Species of MetaboliteComponentSourceComments
Isodon henryi (IPNI:448579-1) leaf (BTO:0000713) PubMed (19031362)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
minheryin G (CHEBI:66394) has role antineoplastic agent (CHEBI:35610)
minheryin G (CHEBI:66394) has role metabolite (CHEBI:25212)
minheryin G (CHEBI:66394) is a ent-kaurane diterpenoid (CHEBI:36760)
minheryin G (CHEBI:66394) is a bridged compound (CHEBI:35990)
minheryin G (CHEBI:66394) is a cyclic ketone (CHEBI:3992)
minheryin G (CHEBI:66394) is a secondary alcohol (CHEBI:35681)
minheryin G (CHEBI:66394) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(1α,3β,5β,7α,8α,9β,10α,13α,14R)-1,3,7,14-tetrahydroxykaur-16-en-15-one
Registry NumbersSources
Reaxys:21137669Reaxys
Citations