CHEBI:74422 - 4'-demethylepipodophyllotoxin

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ChEBI Name 4'-demethylepipodophyllotoxin
ChEBI ID CHEBI:74422
Definition An organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H20O8
Net Charge 0
Average Mass 400.37870
Monoisotopic Mass 400.11582
InChI InChI=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
InChIKey YVCVYCSAAZQOJI-JHQYFNNDSA-N
SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(−)-4'-demethylepipodophyllotoxin ChEBI
4'-demethyl-9-epipodophyllotoxin ChEBI
4'-demethylepipodophyllotoxin UniProt
4'-O-demethyl-4-epipodophyllotoxin ChEBI
4'-O-demethylepipodophyllotoxin ChEBI
DMEP ChEBI
epi-4'-demethylpodophyllotoxin ChEBI
Registry Numbers Types Sources
1358259 Reaxys Registry Number Reaxys
6559-91-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15246103 PubMed citation Europe PMC
19396467 PubMed citation Europe PMC
21398491 PubMed citation Europe PMC
21706170 PubMed citation Europe PMC
Last Modified
16 February 2017