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CHEBI:65870 - eucalyptal B

ChEBI IDCHEBI:65870
ChEBI Nameeucalyptal B
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
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
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)CC[C@@H](C(C)(C)O)[C@@]21[H]
InChIInChI=1S/C28H38O7/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)35-25-21-18(26(4,5)33)8-7-15(3)28(21,34)10-9-27(19,25)6/h12-14,18-19,21,25,31-34H,3,7-11H2,1-2,4-6H3/t18-,19-,21+,25+,27-,28-/m1/s1
InChIKeyVWNYEWUFLXJJJS-GDTDCKGHSA-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 B (CHEBI:65870) has role antineoplastic agent (CHEBI:35610)
eucalyptal B (CHEBI:65870) has role metabolite (CHEBI:25212)
eucalyptal B (CHEBI:65870) is a benzaldehydes (CHEBI:22698)
eucalyptal B (CHEBI:65870) is a cyclic ether (CHEBI:37407)
eucalyptal B (CHEBI:65870) is a organic heterotetracyclic compound (CHEBI:38163)
eucalyptal B (CHEBI:65870) is a resorcinols (CHEBI:33572)
eucalyptal B (CHEBI:65870) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-1-(2-hydroxypropan-2-yl)-6a-methyl-4-methylidene-7-(2-methylpropyl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde
Registry NumbersSources
Reaxys:15778337Reaxys
Citations