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Cinatrin A

CAT: 0931-TN10351-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10351-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136266-33-6
Target
Phospholipase
Related Pathways
Metabolism
Bioactivity
Cinatrin A exhibits inhibitory activity against phospholipase A2 (phospholipaseA2) .
Smiles
O=C(O)C1(O)C(O)C(=O)OC21C(=O)OC(CCCCCCCCC=C)C2
Molecular Formula
C18H26O8
Molecular Weight
370.394
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cinatrin A

from Circinotrichum falcatisporum; structure given in first source

CAS Number136266-33-6
PubChem CID53462210
IUPAC Name8-dec-9-enyl-3,4-dihydroxy-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-4-carboxylic acid
Molecular FormulaC18H26O8
Molecular Weight370.4
XLogP3.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count26
Formal Charge0
Complexity574
SMILES
C=CCCCCCCCCC1CC2(C(=O)O1)C(C(C(=O)O2)O)(C(=O)O)O
InChI
InChI=1S/C18H26O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h2,12-13,19,24H,1,3-11H2,(H,21,22)
InChIKey
ZFUPZDZSERSKNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cinatrin A
CAS: 136266-33-6
CID: 53462210
Formula: C18H26O8
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass370.16276778
Monoisotopic Mass370.16276778
Topological Polar Surface Area130 Ų
Heavy Atom Count26
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14050Cinatrin A
HY-N14101Cinatrin B
GTR19256316-01Cinatrin C1
GTR19255920-01Cinatrin C2
GTR19255896-01Cinatrin C3

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