UCSF

ZINC04716487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 20 No

Popular Name: Cardamonin Cardamonin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18956-16-6 , 18956-16-6; 19309-14-9 , 19309-14-9 , [19309-14-9]

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) 3.23 3.09 -10.54 2 4 0 67 270.284 4 ↓
Hi High (pH 8-9.5) 3.23 3.86 -45.98 1 4 -1 70 269.276 4 ↓
Hi High (pH 8-9.5) 3.23 3.86 -52.83 1 4 -1 70 269.276 4 ↓

Vendor Notes

Note Type Comments Provided By
Target Microsomal glutathione S-transferase 1(P10620)&Cytochrome P450 3A43(Q9HB55)&Tumor necrosis factor(P01375)&Bone morphogenetic protein 2(P12643) Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 3), Eukaryotic Eukaryotes 740 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 2 0.61 Binding ≤ 1μM
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 2 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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