Calphostin C

CAT: 0931-T22620-02Size: 500 µgDry Ice: NoHazardous: No

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CAT#:0931-T22620-02Size:500 µg

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CAS Number

121263-19-2

Target

PKC, Others, Apoptosis, Antibiotic

Related Pathways

Apoptosis, Cytoskeletal Signaling, Others, Chromatin/Epigenetic, Microbiology/Virology

Bioactivity

Calphostin C is a protein kinase C inhibitor.

Smiles

O=C(OC1=CC=C(O)C=C1)OC(C)CC2=C(OC)C(=O)C3=C(O)C=C(OC)C=4C=5C(OC)=CC(O)=C6C(=O)C(OC)=C(C(C65)=C2C34)CC(OC(=O)C=7C=CC=CC7)C

Molecular Formula

C44H38O14

Molecular Weight

790.76

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Calphostin C

Calphostin C is a naphthalenone.

CAS Number	121263-19-2
PubChem CID	10930781
IUPAC Name	[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate
Molecular Formula	C44H38O14
Molecular Weight	790.8
XLogP	8.6
Topological Polar Surface Area	194
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	15
Heavy Atom Count	58
Formal Charge	0
Complexity	1580

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)OC6=CC=C(C=C6)O)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1

InChIKey

LSUTUUOITDQYNO-NHCUHLMSSA-N

Chemical Structure

2D Structure

CAS: 121263-19-2

CID: 10930781

Formula: C44H38O14

MW: 790.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	790.8
XLogP3	8.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	15
Exact Mass	790.22615588
Monoisotopic Mass	790.22615588
Topological Polar Surface Area	194 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1580
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19208145-01	Calphostin A
B6807-.5	Calphostin C
GTR19208247-01	Calphostin B
GTR19208251-01	Calphostin D
GTR19208248-01	Calphostin I

Calphostin C

Chemical Information

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