Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 Yes

CAS Number: 482-53-1

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 5.73 9.29 -12.67 2 5 0 80 404.462 3

Vendor Notes

Note Type Comments Provided By
biological_source Isol. from fruit of Maclura pomifera (osage orange) root, Derris scandens, Erythrina variegata and Euchresta spp. ZereneX Building Blocks
biological_use Cytostatic IBScreen Bioactives
PUBCHEM_PATENT_ID EP0126991A1; EP0742012A2; US4539230; WO2000045165A1 IBM Patent Data
mechanism Inhibits proliferation of murine leukemia cells (L1210/0) and human T-lymphocyte cells IBScreen Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )