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CHEBI:65871 - eucalyptal C

ChEBI IDCHEBI:65871
ChEBI Nameeucalyptal C
Stars
DefinitionAn organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity.
Last Modified19 August 2013
DownloadsMolfile
FormulaC28H36O6
Net Charge0
Average Mass468.590
Monoisotopic Mass468.25119
SMILES[H][C@@]12Oc3c(C=O)c(O)c(C=O)c(O)c3[C@@H](CC(C)C)[C@@]1(C)CC[C@@]1(O)C(=C)CCC(=C(C)C)[C@@]21[H]
InChIInChI=1S/C28H36O6/c1-14(2)11-20-21-24(32)18(12-29)23(31)19(13-30)25(21)34-26-22-17(15(3)4)8-7-16(5)28(22,33)10-9-27(20,26)6/h12-14,20,22,26,31-33H,5,7-11H2,1-4,6H3/t20-,22+,26+,27-,28-/m1/s1
InChIKeyLLCSUGKJCVVJBS-LQEBHLGXSA-N
Species of MetaboliteComponentSourceComments
Eucalyptus globulus (ncbitaxon:34317) fruit (BTO:0000486) PubMed (18020353) Dried fruits
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)
eucalyptal C (CHEBI:65871) has role antineoplastic agent (CHEBI:35610)
eucalyptal C (CHEBI:65871) has role metabolite (CHEBI:25212)
eucalyptal C (CHEBI:65871) is a benzaldehydes (CHEBI:22698)
eucalyptal C (CHEBI:65871) is a cyclic ether (CHEBI:37407)
eucalyptal C (CHEBI:65871) is a organic heterotetracyclic compound (CHEBI:38163)
eucalyptal C (CHEBI:65871) is a resorcinols (CHEBI:33572)
eucalyptal C (CHEBI:65871) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-(propan-2-ylidene)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde
Registry NumbersSources
Reaxys:15778335Reaxys
Citations