Compound Summary
Compound Information
4'-Demethylepipodophyllotoxin
Compound Name: | 4'-Demethylepipodophyllotoxin |
Compound CID: | 122797 |
Synonyms: | "4-Demethylepipodophyllotoxin 6559-91-7 4-DMEP 4-Demethylepipodophyllotoxin UNII-X0S6I23X6L More... |
Iupac Name: | (5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
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 |
Canonical Smiles: | COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
Isomeric Smiles: | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O |
Molecular Weight: | 400.4 |
Molecular Formula: | C21H20O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
4'-Demethylepipodophyllotoxin
Molecular Weight: | 400.4 |
Molecular Formula: | C21H20O8 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 29 |
Complexity: | 614 |
Synonyms
4'-Demethylepipodophyllotoxin
| 4'-Demethylepipodophyllotoxin | 4'-Demethylepipodophyllotoxin |
|---|---|
"4-Demethylepipodophyllotoxin |
6559-91-7 |
4-DMEP |
4-Demethylepipodophyllotoxin |
UNII-X0S6I23X6L |
(-)-4-Demethylepipodophyllotoxin |
DMEP |
X0S6I23X6L |
4-O-demethylepipodophyllotoxin |
CHEBI:74422 |
(10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo7.7.0.0^{3,7}.0^{11,15}hexadeca-1,3(7),8-trien-12-one |
C21H20O8 |
(5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro3,4:6,7naphtho2,3-d1,3dioxol-6(5aH)-one" |
(5R-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo(3,4:6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one |
(5s,5ar,8ar,9r)-9-(3,5-Dimethoxy-4-Oxidanyl-Phenyl)-5-Oxidanyl-5a,6,8a,9-Tetrahydro-5h-2benzofuro6,5-F1,3benzodioxol-8-One |
Furo3,4:6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)- |
BRN 1358259 |
4-Demethyl-epipodophyllotoxin |
etoposide aglycone |
NCGC00161927-01 |
DSSTox_CID_28668 |
DSSTox_RID_82938 |
DSSTox_GSID_48742 |
Demethylpodophyllotoxin, 4- |
CHEMBL31929 |
epi-4-demethylpodophyllotoxin |
SCHEMBL9885196 |
DTXSID7048742 |
4-demethyl-9-epipodophyllotoxin" |
Epipodophyllotoxin, 4-demethyl-" |
4-O-demethyl-4-epipodophyllotoxin |
EX-A1205 |
ZINC5670074 |
(-)-4-demethyl-epipodophyllotoxin |
Tox21_113196 |
s2254 |
AKOS015896348 |
AC-7468 |
ACN-029912 |
CCG-208563 |
CS-1426 |
4-Demethyl epi-Podophyllotoxin (DMEP) |
AS-18736 |
Furo(3,4:6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-beta))- |
HY-17435 |
CAS-6559-91-7 |
AB0028992 |
X1118 |
C21185 |
A935071 |
SR-05000002194 |
Q-100747 |
SR-05000002194-2 |
Q27144659 |
(10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo7.7.0.03,7.011,15hexadeca-1,3(7),8-trien-12-one |
(5R,5aR,8aR,9S)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo3,4:6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one" |
(5R,5aR,8aR,9S)-5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo3,4:6,7naphtho2,3-d-1,3-dioxol-6(5aH)-one" |
(5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro3,4:6,7naphtho2,3-d1,3dioxol-6(5aH)-on |
(5S,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro6,5-f1,3benzodioxol-8-one |
4-DMEP|||(5S,5aR,8aR,9R)-5-Hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-2benzofuro5,6-f1,3benzodioxol-8-one |
89O |
Experimental Data
4'-Demethylepipodophyllotoxin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | 15.86 | 17.1 | 7.804 | S | N2 | 33008901 | Active | ||||
| Caenorhabditis elegans | 100 | umol/L | 15.34 | 17.37 | 13.24 | S | N2 | 33008901 | Active |
Experimental Data Visualization
4'-Demethylepipodophyllotoxin
Statistics Data
4'-Demethylepipodophyllotoxin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 13.24 | 1 | 2 |
Statistics Data Visualization
4'-Demethylepipodophyllotoxin
