| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
2-Isopropyl-3-methoxy-7 H -furo[3,2- g ][1]benzopyran-7-one
2-Isopropyl-3-methoxy-furo[3,2-g]chromen-7-one
3-Methoxy-2-(1-methylethyl)-7 H -furo[3,2- g ][1]benzopyran-7-one
| 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) | 3.55 | 7.89 | -10.72 | 0 | 4 | 0 | 53 | 258.273 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antileukemic | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Apoptosis inducer in human promyelocytic leukaemia, HL-60 cells | IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0872903A1; EP0934955A1; EP1043338A1; EP1063242A1; US4757124; US4758639; US6037426; US6096144; WO1995005741A1 | IBM Patent Data |
| biological_source | From roots of Peucedanum officinale and other Peucedanum spp. and from Prangos pabularia | ZereneX Building Blocks |
| Therapy | phototoxic | SMDC MicroSource |
| biological_use | Redioprotective | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.