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Kodaistatin A

CAT: 0931-TN11409-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11409-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
215182-93-7
Target
Others
Related Pathways
Others
Bioactivity
Kodaistatin A inhibits glucose-6-phosphate translocase T1 (G-6-P-T1) with an IC50 of 80 nM.
Smiles
C(C(/C=C/C(=C/C(CC)C)/C)=O)C1=C(C(C(C)=O)(O)C(O)C1=O)C2=C(C=C(O)C(O)=C2)C3=C(O)\C(=C\C4=CC=C(O)C=C4)\OC3=O
Molecular Formula
C35H34O11
Molecular Weight
630.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kodaistatin A

Kodaistatin A is a member of catechols.

CAS Number215182-93-7
PubChem CID54708847
IUPAC Name(5Z)-3-[2-[5-acetyl-2-[(3E,5E)-5,7-dimethyl-2-oxonona-3,5-dienyl]-4,5-dihydroxy-3-oxocyclopenten-1-yl]-4,5-dihydroxyphenyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]furan-2-one
Molecular FormulaC35H34O11
Molecular Weight630.6
XLogP3.7
Topological Polar Surface Area199
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1410
SMILES
CCC(C)/C=C(\C)/C=C/C(=O)CC1=C(C(C(C1=O)O)(C(=O)C)O)C2=CC(=C(C=C2C3=C(/C(=C/C4=CC=C(C=C4)O)/OC3=O)O)O)O
InChI
InChI=1S/C35H34O11/c1-5-17(2)12-18(3)6-9-22(38)14-25-30(35(45,19(4)36)33(43)31(25)41)24-16-27(40)26(39)15-23(24)29-32(42)28(46-34(29)44)13-20-7-10-21(37)11-8-20/h6-13,15-17,33,37,39-40,42-43,45H,5,14H2,1-4H3/b9-6+,18-12+,28-13-
InChIKey
YACYONYLJTYMLP-AIXQLNHRSA-N
Chemical Structure
2D Structure
2D structure of Kodaistatin A
CAS: 215182-93-7
CID: 54708847
Formula: C35H34O11
MW: 630.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.6
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass630.21011190
Monoisotopic Mass630.21011190
Topological Polar Surface Area199 Ų
Heavy Atom Count46
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19266202-01Kodaistatin A
GTR19255691-01Kodaistatin B

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