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Monorden C

CAT: 0013-GTR19256085-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256085-02Size:50 mg
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Description
Monorden C arrests the cell cycle of Jurket cells at the G1 and G2/M phases. [Monorden C] also exhibits antifungal activity against Aspergillus niger.
CAS Number
544712-80-3
Field of Research
Infectious Disease & Virology
Smiles
C[C@@H]1C[C@@H]2[C@H] (O2) CCO/C=C\3/C (=O) CC (C (=C3/C=C (/C (=O) C1) \O) O) Cl
Molecular Formula
C18H21ClO6
Molecular Weight
368.809
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pochonin A

HSP90 inhibitor from fermentation broth of Pochonia chlamydosporia; structure in first source

CAS Number544712-80-3
PubChem CID6478909
IUPAC Name(4S,6R,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
Molecular FormulaC18H19ClO6
Molecular Weight366.8
XLogP3.4
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity550
SMILES
C[C@H]1C[C@@H]2[C@H](O2)CC/C=C/C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
InChI
InChI=1S/C18H19ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b4-2+/t9-,14+,15+/m0/s1
InChIKey
WUSYBKJSCTYKMV-UUEMPHROSA-N
Chemical Structure
2D Structure
2D structure of Pochonin A
CAS: 544712-80-3
CID: 6478909
Formula: C18H19ClO6
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass366.0870160
Monoisotopic Mass366.0870160
Topological Polar Surface Area96.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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