UCSF

ZINC02008850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 31 Yes

Popular Name: Sophoraflavanone G Sophoraflavanone G

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CAS Number: 97938-30-2

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) 6.12 -2.85 -10.58 4 6 0 107 424.493 6 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Constit. of Sophora moorcroftiana, Sophora flavescens, Sophora leachiana and Vexibia alopecuroides ZereneX Building Blocks
mechanism Antiandrogen IBScreen Bioactives IBScreen Bioactives
biological_use Antibacterial IBScreen Bioactives
biological_use Antiulcer IBScreen Bioactives
UniProt Database Links N8DT1_SOPFL; N8DT2_SOPFL ChEBI
mechanism Phospholipase inhibitor IBScreen Bioactives
biological_use Phytoncide IBScreen Bioactives IBScreen Bioactives
Patent Database Links WO2005095375 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BACE1-2-E Beta-secretase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 5200 0.24 Binding ≤ 10μM
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4100 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BACE1_HUMAN P56817 Beta-secretase 1, Human 1100 0.27 Binding ≤ 10μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 4100 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hexose transport
Inositol transporters
Na+-dependent glucose transporters

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