UCSF

ZINC00265434

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) 3.60 7.87 -12.94 0 6 0 67 342.347 5

Vendor Notes

Note Type Comments Provided By
biological_source Isol. from Salvia officinalis leaves, also from Callicarpa japonica, Orthosiphon stamineus, Marrubium peregrinum, Citrus, Chromolaena, Kickxia and other plants ZereneX Building Blocks
M.P. 142-143 C Indofine
MP 144-145o C Indofine
mechanism Activator of the ZereneX Building Blocks
mechanism Activator of the aryl hydrocarbon receptor (AhR) IBScreen Bioactives IBScreen Bioactives
mechanism Cytochrome P450 inducer IBScreen Bioactives
biological_use Cytostatic IBScreen Bioactives

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.