UCSF

ZINC00057953

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 7-Methoxyflavanone 7-Methoxyflavanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21785-09-1 , [21785-09-1]

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) 3.21 1.29 -6.57 0 3 0 35 254.285 2 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY .; Soluble in Acetone Indofine
APPEARANCE .; White crystals Indofine
Melting_Point 86-90? Alfa-Aesar
Melting_Point 86-90° Alfa-Aesar
M.P. 88-89 C Indofine
MP 89-90o C Indofine
SOLUBILITY Soluble in Acetone Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-4-E Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic Eukaryotes 1470 0.43 Binding ≤ 10μM
CP19A-1-E Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 8000 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 8000 0.38 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 1470 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Estrogen biosynthesis
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2

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