CHEBI:65869 - eucalyptal A

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ChEBI Name eucalyptal A
ChEBI ID CHEBI:65869
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H36O6
Net Charge 0
Average Mass 468.58180
Monoisotopic Mass 468.25119
InChI InChI=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/h12-14,17,20,22,26,31-33H,3,5,7-11H2,1-2,4,6H3/t17-,20+,22-,26-,27+,28+/m0/s1
InChIKey HJUVXYVQIXPSJI-ICRWQPCKSA-N
SMILES [H][C@@]12[C@@H](CCC(=C)[C@]1(O)CC[C@]1(C)[C@H](CC(C)C)c3c(O)c(C=O)c(O)c(C=O)c3O[C@@H]21)C(C)=C
Metabolite of Species Details
Eucalyptus globulus (NCBI:txid34317) Found in fruit (BTO:0000486). Dried fruits See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing eucalyptal A (CHEBI:65869) has role antineoplastic agent (CHEBI:35610)
eucalyptal A (CHEBI:65869) has role metabolite (CHEBI:25212)
eucalyptal A (CHEBI:65869) is a benzaldehydes (CHEBI:22698)
eucalyptal A (CHEBI:65869) is a cyclic ether (CHEBI:37407)
eucalyptal A (CHEBI:65869) is a organic heterotetracyclic compound (CHEBI:38163)
eucalyptal A (CHEBI:65869) is a resorcinols (CHEBI:33572)
eucalyptal A (CHEBI:65869) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-(prop-1-en-2-yl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde
Registry Number Type Source
15778336 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18020353 PubMed citation Europe PMC
Last Modified
19 August 2013