Search MNXref
 Feedback

4'-demethylepipodophyllotoxin

PropertiesImage
MNX_IDMNXM151038 Image of MNXM151038
referencechebi:74422
formulaC21H20O8
global charge0
mol weight400.383
InChIKeyYVCVYCSAAZQOJI-JHQYFNNDSA-N
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
SMILESCOC1=CC([C@@H]2C3=C(C=C4OCOC4=C3)[C@@H](O)[C@H]3COC(=O)[C@H]23)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM151038
SMILES (mnx)[CH3:1][O:25][C:15]1=[C:20]([OH:23])[C:16]([O:26][CH3:2])=[CH:4][C:9]([C@@H:17]2[C:10]3=[CH:5][C:13]4=[C:14]([CH:6]=[C:11]3[C@@H:19]([OH:22])[C@H:12]3[CH2:7][O:27][C:21](=[O:24])[C@@H:18]32)[O:29][CH2:8][O:28]4)=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74422
chebi:74422
YVCVYCSAAZQOJI-JHQYFNNDSA-N 		4'-demethylepipodophyllotoxin
(-)-4'-demethylepipodophyllotoxin
(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
4'-O-demethyl-4-epipodophyllotoxin
4'-O-demethylepipodophyllotoxin
4'-demethyl-9-epipodophyllotoxin
DMEP
epi-4'-demethylpodophyllotoxin

metacyc.compound:CPD-18757
metacycM:CPD-18757
seed.compound:cpd33494
seedM:cpd33494
YVCVYCSAAZQOJI-JHQYFNNDSA-N 		(-)-4'-demethyl-epipodophyllotoxin
(10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
etoposide aglycone

kegg.compound:C21185
keggC:C21185
YVCVYCSAAZQOJI-JHQYFNNDSA-N 		4'-Demethylepipodophyllotoxin
(-)-4'-Demethylepipodophyllotoxin
(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

keggC:M_C21185
seedM:M_cpd33494 		secondary/obsolete/fantasy identifier