UCSF

ZINC08143604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 41 No

Popular Name: naringin naringin

Find On: PubMed — Wikipedia — Google

CAS Number: 10236-47-2

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) -0.37 -18.33 -21.05 8 14 0 225 580.539 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0027623A1; EP0065123A1; EP0067913A1; EP0206239A2; EP0206239B1; EP0242892A1; EP0242892B1; EP0245931A2; EP0254257A2; EP0282332A2; EP0282332B1; EP0282942A2; EP0298954A1; EP0314959A1; EP0314959B1; EP0317033A1; EP0317033B1; EP0317036A1; EP0334641A2; EP033464 IBM Patent Data
UniProt Database Links SO1A2_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-1-E Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5000 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 5000 0.18 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Estrogen biosynthesis

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