UCSF

ZINC00518554

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 No

Popular Name: Arbutin Arbutin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 497-76-7 , CAS# 497-76-7

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) -0.81 -7.72 -8.77 5 7 0 120 272.253 3 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 0.677 Bitter DB
MP 179-203o C Indofine
MP 195-198 °C Indofine
Melting_Point 196-200? Alfa-Aesar
Melting_Point 196-200° Alfa-Aesar
MP 198 TCI
UniProt Database Links CHBF_ECOLI; GMUD_BACSU; HGGL1_MAIZE; HQGT_RAUSE; PTIBC_ECOLI; SUC2_ARATH; SUC9_ARATH; SUT5_ORYSJ; U72B1_ARATH ChEBI
Target Estrogen/progestogen Receptor Selleck Chemicals
SOLUBILITY H2O: 50 mg/mL hot, clear Indofine
Target Others Selleck Chemicals
Reactome Database Links REACT_15538; REACT_163726; REACT_22239; REACT_22289 ChEBI
Indications skin lightening agent KeyOrganics Bioactives
SOLUBILITY Soluble in water & alcohol Indofine

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

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