UCSF

ZINC00239015

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE METHYL 2,4-DIHYDROXY-3,6-DIMETHY…

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CAS Numbers: 4707-47-5 , 91061-32-4 , [4707-47-5]

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) 2.22 -0.89 -9.24 2 4 0 67 196.202 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Major odoriferous constit. of oakmoss Evernia prunastri. Also found in Xylosma velutina and Dianella revoluta ZereneX Building Blocks
Purity 95% Fluorochem
biological_use Antibacterial IBScreen Bioactives
biological_use Flavor and fragrance agent IBScreen Bioactives IBScreen Bioactives
biological_use Fungicide IBScreen Bioactives ZereneX Building Blocks
mechanism Inhibitor of leukotriene B4 biosynthesis ZereneX Building Blocks
biological_use Used in perfumery IBScreen Bioactives

Activity (Go SEA)

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