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Gerfelin

CAT: 0931-TN9984-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9984-02Size:50 mg
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CAS Number
627545-07-7
Target
Antibiotic, Transferase
Related Pathways
Microbiology/Virology, Metabolism
Bioactivity
Gerfelin inhibits geranylgeranyl pyrophosphate synthase (GGPP synthase) activity, with an IC50 of 3.5 μg/mL.
Smiles
O=C(O)C1=C(O)C=C(OC2=CC(=CC(O)=C2O)C)C=C1C
Molecular Formula
C15H14O6
Molecular Weight
290.268
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gerfelin

Gerfelin is a member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 2,3-dihydroxy-5-methylphenoxy group. It has a role as a metabolite and an EC 2.5.1.29 (geranylgeranyl diphosphate synthase) inhibitor. It is a member of benzoic acids, a member of catechols and an aromatic ether.

CAS Number627545-07-7
PubChem CID10149453
IUPAC Name4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoic acid
Molecular FormulaC15H14O6
Molecular Weight290.27
XLogP3.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity373
SMILES
CC1=CC(=C(C(=C1)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O
InChI
InChI=1S/C15H14O6/c1-7-3-11(17)14(18)12(4-7)21-9-5-8(2)13(15(19)20)10(16)6-9/h3-6,16-18H,1-2H3,(H,19,20)
InChIKey
BGSIXQHNQUBHAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gerfelin
CAS: 627545-07-7
CID: 10149453
Formula: C15H14O6
MW: 290.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.27
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass290.07903816
Monoisotopic Mass290.07903816
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-124723Gerfelin
GTR19221572-01Methyl gerfelin

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