UCSF

ZINC04098424

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 44 No

Popular Name: 78824-30-3; C09929; Garcinol 78824-30-3; C09929; Garcinol

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CAS Number: 78824-30-3

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) 8.29 2.56 -10.4 3 6 0 111 602.812 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EP300-1-E Histone Acetyltransferase P300 (cluster #1 Of 2), Eukaryotic Eukaryotes 6600 0.16 Binding ≤ 10μM
KAT2B-1-E Histone Acetyltransferase PCAF (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.17 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EP300_HUMAN Q09472 Histone Acetyltransferase P300, Human 1800 0.18 Binding ≤ 10μM
KAT2B_HUMAN Q92831 Histone Acetyltransferase PCAF, Human 6000 0.17 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Attenuation phase
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Circadian Clock
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
Constitutive Signaling by NOTCH1 PEST Domain Mutants
Factors involved in megakaryocyte development and platelet production
formation of the beta-catenin:TCF transactivating complex
HATs acetylate histones
LRR FLII-interacting protein 1 (LRRFIP1) activates type I IFN production
Notch-HLH transcription pathway
NOTCH1 Intracellular Domain Regulates Transcription
NOTCH2 intracellular domain regulates transcription
Polo-like kinase mediated events
PPARA activates gene expression
Pre-NOTCH Transcription and Translation
Regulation of gene expression by Hypoxia-inducible Factor
REV-ERBA represses gene expression
RNA Polymerase I Transcription Initiation
RORA activates circadian gene expression
TRAF3-dependent IRF activation pathway
TRAF6 mediated IRF7 activation
Transcriptional regulation of white adipocyte differentiation
YAP1- and WWTR1 (TAZ)-stimulated gene expression

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