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(-)-4'-desmethyl-deoxypodophyllotoxin

PropertiesImage
MNX_IDMNXM37012 Image of MNXM37012
referencechebi:1729
formulaC21H20O7
global charge0
mol weight384.384
InChIKeyRFDMNXDDRXVJTM-RQUSPXKASA-N
InChIInChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1
SMILESCOC1=CC([C@@H]2C3=CC4=C(C=C3C[C@H]3COC(=O)[C@@H]32)OCO4)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1 Image of MNXM37012
SMILES (mnx)[CH3:1][O:24][C:16]1=[C:20]([OH:22])[C:17]([O:25][CH3:2])=[CH:6][C:11]([C@@H:18]2[C:13]3=[CH:7][C:15]4=[C:14]([CH:4]=[C:10]3[CH2:3][C@H:12]3[CH2:8][O:26][C:21](=[O:23])[C@@H:19]32)[O:27][CH2:9][O:28]4)=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:1729
chebi:1729
RFDMNXDDRXVJTM-RQUSPXKASA-N 		(-)-4'-desmethyl-deoxypodophyllotoxin
(-)-4'-demethyldeoxypodophyllotoxin
(5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
4'-demethyldeoxypodophyllotoxin
4'-desmethyldesoxypodophyllotoxin
A 80198

metacyc.compound:CPD-18756
metacycM:CPD-18756
RFDMNXDDRXVJTM-RQUSPXKASA-N 		(-)-4'-demethyl-deoxypodophyllotoxin
(10R,11R,15R)-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

kegg.compound:C10552
keggC:C10552
RFDMNXDDRXVJTM-RQUSPXKASA-N 		4'-Demethyldeoxypodophyllotoxin
(-)-4'-Demethyldeoxypodophyllotoxin
(5R,5aR,8aR)-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

seed.compound:cpd07438
seedM:cpd07438
RFDMNXDDRXVJTM-RQUSPXKASA-N 		4'-Demethyldeoxypodophyllotoxin
(-)-4'-demethyl-deoxypodophyllotoxin
(10R,11R,15R)-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

keggC:M_C10552
seedM:M_cpd07438 		secondary/obsolete/fantasy identifier