UCSF

ZINC05998558

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 21 Yes

Popular Name: oroxylin a oroxylin a

Find On: PubMed — Wikipedia — Google

CAS Numbers: 480-11-5 , [480-11-5]

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) 2.96 4.73 -14.41 2 5 0 80 284.267 2 ↓
Hi High (pH 8-9.5) 2.96 5.48 -65.38 1 5 -1 83 283.259 2 ↓
Hi High (pH 8-9.5) 2.96 5.67 -45.74 1 5 -1 83 283.259 2 ↓

Vendor Notes

Note Type Comments Provided By
Target Interleukin-6(P05231)&Tumor necrosis factor(P01375)&Interleukin-10(P22301)&Prostaglandin E2 receptor EP3 subtype(P43115)&Transcription factor p65(Q04206)&Cytochrome P450 3A4(P08684)&Interleukin-1 beta(P01584) Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CREB1-1-E Cyclic AMP-responsive Element-binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CREB1_HUMAN P16220 Cyclic AMP-responsive Element-binding Protein 1, Human 2200 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
AKT phosphorylates targets in the nucleus
CaMK IV-mediated phosphorylation of CREB
Circadian Clock
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation
CREB phosphorylation through the activation of Adenylate Cyclase
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of CaMKK
CREB phosphorylation through the activation of Ras
Gastrin-CREB signalling pathway via PKC and MAPK
NCAM signaling for neurite out-growth
NOTCH2 intracellular domain regulates transcription
PKA-mediated phosphorylation of CREB
Transcriptional activation of mitochondrial biogenesis

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

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