Aspidin BB

CAT: 0931-T73681-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T73681-02Size:50 mg

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CAS Number

584-28-1

Target

Apoptosis, Caspase, Bcl-2 Family, Others

Related Pathways

Proteases/Proteasome, Others, Apoptosis

Bioactivity

Aspidin BB, a phloroglucinol derivative isolated from the aerial part of Dryopteris championii, exhibits anticancer activity. It induces cell cycle arrest and apoptosis in human ovarian HO-8910 cells [1] [2].

Smiles

CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)C1=O

Molecular Formula

C25H32O8

Molecular Weight

460.52

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Aspidin

Aspidin is a carboxylic ester. It is functionally related to a phloroglucinol.

CAS Number	584-28-1
PubChem CID	120290
IUPAC Name	2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Molecular Formula	C25H32O8
Molecular Weight	460.5
XLogP	4.1
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	852

SMILES

CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O

InChI

InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-31H,7-11H2,1-6H3

InChIKey

PLGZOIJJUOHZJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 584-28-1

CID: 120290

Formula: C25H32O8

MW: 460.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	460.5
XLogP3	4.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	460.20971797
Monoisotopic Mass	460.20971797
Topological Polar Surface Area	141 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	852
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Catalog	Name
GTR19221720-01	Aspidin BB

Aspidin BB

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