CHEBI:65835 - 2β-methoxy-2-deethoxyphantomolin

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ChEBI Name 2β-methoxy-2-deethoxyphantomolin
ChEBI ID CHEBI:65835
ChEBI ASCII Name 2beta-methoxy-2-deethoxyphantomolin
Definition A germacranolide that is the 2β-methoxy-2-deethoxy derivative of phantomolin. Isolated from Elephantopus mollis, it exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H24O6
Net Charge 0
Average Mass 360.40100
Monoisotopic Mass 360.15729
InChI InChI=1S/C20H24O6/c1-10(2)18(21)24-14-7-11(3)8-20(23-6)9-12(4)16(26-20)17-15(14)13(5)19(22)25-17/h8-9,14-17H,1,5,7H2,2-4,6H3/b11-8+/t14-,15+,16-,17-,20-/m0/s1
InChIKey CSIBMGLPBAXXSG-FWTBDAJASA-N
SMILES [H][C@@]12O[C@@](OC)(\C=C(C)\C[C@H](OC(=O)C(C)=C)[C@@]3([H])C(=C)C(=O)O[C@]13[H])C=C2C
Metabolite of Species Details
Elephantopus mollis (NCBI:txid318057) Found in root (BTO:0001188). See: PubMed
Elephantopus mollis (NCBI:txid318057) Found in stem (BTO:0001300). 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 2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) has role antineoplastic agent (CHEBI:35610)
2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) has role metabolite (CHEBI:25212)
2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a γ-lactone (CHEBI:37581)
2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a cyclic ether (CHEBI:37407)
2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a enoate ester (CHEBI:51702)
2β-methoxy-2-deethoxyphantomolin (CHEBI:65835) is a germacranolide (CHEBI:73011)
IUPAC Name
(3aR,4S,6E,8S,11S,11aS)-8-methoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate
Registry Number Type Source
9875998 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18239317 PubMed citation Europe PMC
Last Modified
19 August 2013