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CHEBI:74422 - 4'-demethylepipodophyllotoxin

ChEBI IDCHEBI:74422
ChEBI Name4'-demethylepipodophyllotoxin
Stars
DefinitionAn organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin.
Last Modified16 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILES[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3c(cc1[C@H]2O)OCO3
InChIInChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1
InChIKeyYVCVYCSAAZQOJI-JHQYFNNDSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
4'-demethylepipodophyllotoxin (CHEBI:74422) has role antineoplastic agent (CHEBI:35610)
4'-demethylepipodophyllotoxin (CHEBI:74422) is a furonaphthodioxole (CHEBI:50307)
4'-demethylepipodophyllotoxin (CHEBI:74422) is a organic heterotetracyclic compound (CHEBI:38163)
4'-demethylepipodophyllotoxin (CHEBI:74422) is a phenols (CHEBI:33853)
Incoming Relation(s)
etoposide (CHEBI:4911) has functional parent 4'-demethylepipodophyllotoxin (CHEBI:74422)
IUPAC Name 
(5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Synonyms  Source
4'-O-demethylepipodophyllotoxinChEBI
4'-demethyl-9-epipodophyllotoxinChEBI
epi-4'-demethylpodophyllotoxinChEBI
DMEPChEBI
4'-O-demethyl-4-epipodophyllotoxinChEBI
(−)-4'-demethylepipodophyllotoxinChEBI
UniProt Name  Source
4'-demethylepipodophyllotoxinUniProt
Registry NumbersSources
Reaxys:1358259Reaxys
CAS:6559-91-7ChemIDplus
Citations