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A 80915A

CAT: 0931-T26450-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26450-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127875-60-9
Target
Others, Proton pump, ATPase
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
A 80915A is A semi-naphthoquinone antibiotic from Streptomyces aculeolatus. It is a potent inhibitor of gastric (H (+) -K+) -ATPase. Inhibition by A80915A is dependent on the conformation of gastric (H (+) -K+) -ATPase, potassium slows the rate of inhibition by converting the enzyme to a conformation where the drug binding site is not as accessible.
Smiles
Cc1c(O)cc2C(=O)C3(CC4C(=C)CCC(Cl)C4(C)C)OC(C)(C)C(Cl)CC3(Cl)C(=O)c2c1O
Molecular Formula
C26H31Cl3O5
Molecular Weight
529.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 80915A

antibiotic complex from Streptomyces aculeolatus

CAS Number127875-60-9
PubChem CID195548
IUPAC Name3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Molecular FormulaC26H31Cl3O5
Molecular Weight529.9
XLogP6.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity903
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3(CC(C(OC3(C2=O)CC4C(=C)CCC(C4(C)C)Cl)(C)C)Cl)Cl)O
InChI
InChI=1S/C26H31Cl3O5/c1-12-7-8-17(27)23(3,4)15(12)10-26-21(32)14-9-16(30)13(2)20(31)19(14)22(33)25(26,29)11-18(28)24(5,6)34-26/h9,15,17-18,30-31H,1,7-8,10-11H2,2-6H3
InChIKey
JCIYFFNGTHMEDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 80915A
CAS: 127875-60-9
CID: 195548
Formula: C26H31Cl3O5
MW: 529.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.9
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass528.123707
Monoisotopic Mass528.123707
Topological Polar Surface Area83.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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