4-Hydroxy-3-prenylbenzoic Acid - CAS 1138-41-6
Catalog: |
BB060926 |
Product Name: |
4-Hydroxy-3-prenylbenzoic Acid |
CAS: |
1138-41-6 |
Synonyms: |
4-Hydroxy-3-(3-methyl-2-buten-1-yl)-benzoic Acid; 3-(3-Methyl-2-butenyl)-4-hydroxybenzoic Acid; 4-Hydroxy-3-(3-methyl-2-butenyl)benzoic Acid |
IUPAC Name: | 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid |
Description: | 4-Hydroxy-3-prenylbenzoic Acid, is used in the preparation of Novobiocin (N888500), which is a member of the coumermycin family of antibiotics and is a well-established inhibitor of DNA gyrase. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CC(=CCC1=C(C=CC(=C1)C(=O)O)O)C |
InChI: | InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) |
InChI Key: | LBSJJNAMGVDGCU-UHFFFAOYSA-N |
References: | Cozarelli, N.R. Science, 207, 953 (1980); Sumiyoshi, Y. et al. J. Gen. Virol., 64, 2329 (1983); Lockshon, G. et al. Nucleic Acids Res., 11, 2999 (1983). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108265007-A | The application of deep-sea fungi 3A00421 and its fermented cpds | 20171218 |
EP-3339858-A1 | Coronary heart disease biomarker and application thereof | 20150820 |
US-2011082098-A1 | Novobiocin analogues and treatment of polycystic kidney disease | 20090930 |
WO-2011041593-A1 | Novobiocin analogues and treatment of polycystic kidney disease | 20090930 |
EP-2438078-A1 | Novobiocin analogues having modified sugar moieties | 20090220 |
EP-2438078-B1 | Novobiocin analogues having modified sugar moieties | 20090220 |
JP-2012518645-A | Novobiocin analogs having modified sugar moieties | 20090220 |
JP-5766617-B2 | Novobiocin analogs having modified sugar moieties | 20090220 |
WO-2010096650-A1 | Novobiocin analogues having modified sugar moieties | 20090220 |
AU-2009211300-A1 | Phenyl-prenyl derivatives, of marine and synthetic origin, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders | 20080206 |
PMID | Publication Date | Title | Journal |
20734943 | 20100701 | Spartinoxide, a new enantiomer of A82775C with inhibitory activity toward HLE from the marine-derived Fungus Phaeosphaeria spartinae | Natural product communications |
20552488 | 20100601 | Cochliones A-D, four new tetrahydrochromanone derivatives from endophytic Cochliobolus sp | Journal of Asian natural products research |
18050963 | 20070301 | Synthesis and biological activity of fungal metabolite, 4-hydroxy-3-(3'-methyl-2'-butenyl)-benzoic acid | Journal of microbiology and biotechnology |
15779922 | 20050329 | Characterization of the aminocoumarin ligase SimL from the simocyclinone pathway and tandem incubation with NovM,P,N from the novobiocin pathway | Biochemistry |
15580963 | 20040901 | Cell cycle inhibitory activity of 4-hydroxy-3-(3'-methyl-2'-butenyl)-benzoic acid from Curvularia sp. KF119 | The Journal of antibiotics |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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