Products for Research Use Only

Anticandidal agent-1

CAT: 0013-GTR19188013-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188013-02Size:50 mg
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Description
Anticandidal agent-1 (C2) is a broad-spectrum small molecule inhibitor effective against Candida species, including C. albicans and C. glabrata. It functions by blocking hyphal morphogenesis and biofilm formation. This compound is a valuable research tool for studying fungal virulence mechanisms in both in vitro and in vivo models of candidiasis.
CAS Number
2548852-85-1
Field of Research
Infectious Disease & Virology
Smiles
C (=O) C1=C2C (=C (O) C (C=O) =C1O) CC[C@@] (C) (O2) [C@]3 (CCC (C) =CC3) [H]
Molecular Formula
C19H22O5
Molecular Weight
330.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticandidal agent-1
CAS Number2548852-85-1
PubChem CID164516863
IUPAC Name(2R)-5,7-dihydroxy-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-3,4-dihydrochromene-6,8-dicarbaldehyde
Molecular FormulaC19H22O5
Molecular Weight330.4
XLogP3.5
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity530
SMILES
CC1=CC[C@H](CC1)[C@]2(CCC3=C(C(=C(C(=C3O2)C=O)O)C=O)O)C
InChI
InChI=1S/C19H22O5/c1-11-3-5-12(6-4-11)19(2)8-7-13-16(22)14(9-20)17(23)15(10-21)18(13)24-19/h3,9-10,12,22-23H,4-8H2,1-2H3/t12-,19-/m1/s1
InChIKey
SEJWGAQEXOTTLH-CWTRNNRKSA-N
Chemical Structure
2D Structure
2D structure of Anticandidal agent-1
CAS: 2548852-85-1
CID: 164516863
Formula: C19H22O5
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass330.14672380
Monoisotopic Mass330.14672380
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes