UCSF

ZINC00001904

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Imperatorin Imperatorin

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 482-44-0 , 82-44-0 , [482-44-0]

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) 3.95 9.08 -17.31 0 4 0 53 270.284 3 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Present in roots of Imperatoria ostruthium and Clausena dentata . Also in Aegle marmelos, Angelica spp., Ammi majus, Pastinaca spp., Seseli campestre and others ZereneX Building Blocks
M.P 100-101C Indofine
MP 97.5-99.5o C Indofine
M.P 98-100C Indofine
MP 99o C Indofine
biological_use Anti-HIV activity IBScreen Bioactives IBScreen Bioactives
biological_use Anticonvulsant, antiinflammatory agent IBScreen Bioactives
Therapy anticonvulsant, antiinflammatory, platelet aggregation inhibitor SMDC MicroSource
UniProt Database Links CP6B4_PAPGL ChEBI
mechanism Cytokine release inhibitor IBScreen Bioactives
PUBCHEM_PATENT_ID EP0352198A2; EP0352198B1; EP0810861A1; EP0954304A2; EP1019042A1; EP1033979A2; US4939167; US5637589; US5720304; US5726204; US5820915; US5847165; US5962044; US5990154; US6054477; US6063809; US6124477; US6162459; US6162479; WO1994001106A1; WO1995029920A1; WO IBM Patent Data
APPEARANCE Off white powder Indofine
biological_use Shows antimicrobial activity IBScreen Bioactives
SOLUBILITY Soluble in ; Ethyl acetate:Methanol:Water (100:20:15) Indofine
SOLUBILITY Soluble in Chloroform Indofine
SOLUBILITY Soluble in Ethyl acetate Indofine

Activity (Go SEA)

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