UCSF

ZINC04081455

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 31 No

Popular Name: Lupeol Lupeol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 545-47-1 , [545-47-1]

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 12.28 -1.03 1 1 0 20 426.729 1 ↓

Vendor Notes

Note Type Comments Provided By
Target Apoptosis regulator Bcl-2(P10415)&NF-kappa-B inhibitor alpha(P25963)&RAC-alpha serine/threonine-protein kinase(P31749)&G1/S-specific cyclin-D1(P24385)&Myc proto-oncogene protein(P01106)&Prostaglandin G/H synthase 2(P35354)&Matrix metalloproteinase-9(P1478 Herbal Ingredients Targets
PUBCHEM_PATENT_ID EP0145607A2; EP0427781A1; EP0476054A1; EP0555484B1; EP0644716A1; EP0724451A1; EP0762876A1; EP0817787A1; EP0824962A1; EP0858835A1; EP0914329A2; EP1001007A1; EP1059848A1; EP1059930A1; US4220588; US4515781; US4661343; US4808574; US4983637; US5086076; US51263 IBM Patent Data
UniProt Database Links GERS_RHISY; LCAT2_ARATH; LUP1_ARATH; LUP2_ARATH; LUP3_ARATH; LUP4_ARATH; LUP5_ARATH; LUPS_BETPL; LUPS_BRUGY; LUPS_GLYGL; LUPS_KALDA; LUPS_RICCO; PEN6_ARATH; TARS_RHISY ChEBI

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