UCSF

ZINC00057658

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7,4'-Dihydroxyflavone 7,4'-Dihydroxyflavone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2196-14-7 , [2196-14-7]

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) 2.76 2.62 -10.91 2 4 0 71 254.241 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P. 324-325 C Indofine
MP 324-325o C Indofine
therap antioxidant MicroSource Spectrum
SOLUBILITY Soluble in Methanol Indofine
APPEARANCE Yellow needles Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 2 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 2 0.64 Binding ≤ 1μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 2 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Estrogen biosynthesis

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

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