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Cinatrin C1

CAT: 0931-TN10030-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10030-02Size:50 mg
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CAS Number
136266-35-8
Target
Phospholipase
Related Pathways
Metabolism
Bioactivity
Cinatrin C1 is a phospholipase A2 (PLA2) inhibitor that can be extracted from the Circinotrichum falcatisporum strain RF-641.
Smiles
C(CCCCCCCCCCC)[C@]1(C(O)=O)[C@@](C(O)=O)(O)[C@H](O)C(=O)O1
Molecular Formula
C18H30O8
Molecular Weight
374.426
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cinatrin C1

from Circinotrichum falcatisporum; structure given in first source

CAS Number136266-35-8
PubChem CID131945
IUPAC Name(2S,3R,4R)-2-dodecoxycarbonyl-4-hydroxy-5-oxooxolane-3-carboperoxoic acid
Molecular FormulaC18H30O8
Molecular Weight374.4
XLogP4.7
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count26
Formal Charge0
Complexity450
SMILES
CCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]([C@H](C(=O)O1)O)C(=O)OO
InChI
InChI=1S/C18H30O8/c1-2-3-4-5-6-7-8-9-10-11-12-24-18(22)15-13(16(20)26-23)14(19)17(21)25-15/h13-15,19,23H,2-12H2,1H3/t13-,14-,15+/m1/s1
InChIKey
YYAODTFONAOLHT-KFWWJZLASA-N
Chemical Structure
2D Structure
2D structure of Cinatrin C1
CAS: 136266-35-8
CID: 131945
Formula: C18H30O8
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass374.19406791
Monoisotopic Mass374.19406791
Topological Polar Surface Area119 Ų
Heavy Atom Count26
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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