UCSF

ZINC00001536

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: Honokiol Honokiol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35354-74-6 , 564-73-8 , [35354-74-6]

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) 5.01 6.6 -5.41 2 2 0 40 266.34 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 85 TCI
Purity 95% Fluorochem
Target Akt, MEK Selleck Chemicals
biological_use Anti-bacterial IBScreen Bioactives
biological_use Anti-depressant IBScreen Bioactives
biological_use Anti-emetic IBScreen Bioactives
biological_use Anti-thrombotic IBScreen Bioactives
biological_use Anti-tumorigenic activity IBScreen Bioactives IBScreen Bioactives
biological_use Anxiolytic IBScreen Bioactives
Target Complement C3(P01024) Herbal Ingredients Targets
biological_source Constit. of Magnolia spp. ZereneX Building Blocks
mechanism Inhibitor of phosphorylation of Akt, p44/42mitogen-activated protein kinase (MAPK) IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02135h NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02135h NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-6-E Arachidonate 5-lipoxygenase (cluster #6 Of 6), Eukaryotic Eukaryotes 4200 0.38 Binding ≤ 10μM
PGH1-2-E Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic Eukaryotes 1800 0.40 Binding ≤ 10μM
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.40 Binding ≤ 10μM
Z100499-1-O SARS Coronavirus (cluster #1 Of 2), Other Other 6500 0.36 Functional ≤ 10μM
Z50607-2-O Human Immunodeficiency Virus 1 (cluster #2 Of 10), Other Other 3300 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 4200 0.38 Binding ≤ 10μM
PGH1_SHEEP P05979 Cyclooxygenase-1, Sheep 1800 0.40 Binding ≤ 10μM
PGH2_SHEEP P79208 Cyclooxygenase-2, Sheep 2100 0.40 Binding ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 3300 0.38 Functional ≤ 10μM
Z100499 Z100499 SARS Coronavirus 6500 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of 5-eicosatetraenoic acids
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)

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

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