| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2006 | 29 | Yes |
Popular Name: 4'-Demethylepipodophyllotoxin 4'-Demethylepipodophyllotoxin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6559-91-7 , [6559-91-7]
"4'-Demethylepipodophyllotoxin, 98%"
(-)-4'-Demethylepipodophyllotoxin
(5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.04 | 2.88 | -16.72 | 2 | 8 | 0 | 104 | 400.383 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antineoplastic | MicroSource Spectrum |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 820 | 0.29 | Functional ≤ 10μM |
| Z80897-1-O | H9 (T-lymphoid Cells) (cluster #1 Of 2), Other | Other | 70 | 0.35 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 980 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 70 | 0.35 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 980 | 0.29 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 820 | 0.29 | Functional ≤ 10μM |
