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Calphostin B

CAT: 0013-GTR19208247-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208247-02Size:50 mg
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Description
Calphostin B is a natural product derived from the fungus Cladosporium cladosporioides that acts as a potent and selective inhibitor of protein kinase C (PKC) . It is widely used as a pharmacological tool in biochemical research to study PKC-mediated signaling pathways in both cellular and enzymatic assays.
CAS Number
124824-06-2
Smiles
C (C (OC (=O) C1=CC=CC=C1) C) C=2C=3C4=C5C (=C6C3C (C (=O) C2OC) =C (O) C=C6OC) C (OC) =CC (O) =C5C (=O) C (OC) =C4CC (C) O
Molecular Formula
C37H34O11
Molecular Weight
654.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Calphostin B

Calphostin B is a naphthalenone.

CAS Number124824-06-2
PubChem CID10908455
IUPAC Name[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate
Molecular FormulaC37H34O11
Molecular Weight654.7
XLogP6.4
Topological Polar Surface Area158
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1290
SMILES
C[C@H](CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)C[C@@H](C)OC(=O)C6=CC=CC=C6)O
InChI
InChI=1S/C37H34O11/c1-16(38)12-19-25-26-20(13-17(2)48-37(43)18-10-8-7-9-11-18)36(47-6)34(42)28-22(40)15-24(45-4)30(32(26)28)29-23(44-3)14-21(39)27(31(25)29)33(41)35(19)46-5/h7-11,14-17,38,41-42H,12-13H2,1-6H3/t16-,17-/m1/s1
InChIKey
ZZTKVBAAURVMGM-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of Calphostin B
CAS: 124824-06-2
CID: 10908455
Formula: C37H34O11
MW: 654.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.7
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass654.21011190
Monoisotopic Mass654.21011190
Topological Polar Surface Area158 Ų
Heavy Atom Count48
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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