UCSF

ZINC00058114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: Flavanone Flavanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 487-26-3 , 525-82-6 , [487-26-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.18 8.05 -6.32 0 2 0 26 224.259 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 75 - 77 Enamine Building Blocks
Melting_Point 75-79? Alfa-Aesar
Melting_Point 75-79° Alfa-Aesar
MP 75...77 Enamine Building Blocks
MP 76 TCI
M.P. 76-78 C Indofine
MP 76-78o C Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links CF1B1_SOYBN; CF1B2_SOYBN; CFI1A_SOYBN; CFI1_ARATH; CFI1_CHRMO; CFI1_FRAAN; CFI1_LOTJA; CFI1_MEDSA; CFI1_PETHY; CFI1_SOYBN; CFI1_VITVI; CFI2A_SOYBN; CFI2B_SOYBN; CFI2_ARATH; CFI2_CHRMO; CFI2_FRAAN; CFI2_LOTJA; CFI2_MEDSA; CFI2_PETHY; CFI2_VITVI; CFI3_ARATH ChEBI
UniProt Database Links DFRA_MALDO; DFRA_PYRCO ChEBI
Patent Database Links EP0774249; EP0920870; EP1440688; EP1502915; EP1640371; EP1987810; US2004029914; US2005014819; US2007184098; WO2005000831; WO2006094357; WO2007135592 ChEBI
SOLUBILITY Soluble in Methanol Indofine
APPEARANCE White crystals Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 2870 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 2870 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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