Crenulatin

CAT: 0931-TN1532-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1532-02Size:5 mg

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CAS Number

63026-02-8

Target

Caspase, Bcl-2 Family, Fatty Acid Synthase

Related Pathways

Apoptosis, Metabolism, Proteases/Proteasome

Purity

0.9986

Bioactivity

Crenulatin, a natural gallotannin, has a bi-directional effect on apoptosis in mouse cerebral microvascular endothelial cells, acting through the regulation of Fas/Bcl-2 expression and caspase-3 activity.

Smiles

O(C(C=C)(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Molecular Formula

C11H20O6

Molecular Weight

248.27

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol

Crenulatin is a glycoside.

CAS Number	63026-02-8
PubChem CID	5316128
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol
Molecular Formula	C11H20O6
Molecular Weight	248.27
XLogP	-1
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	267

SMILES

CC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C11H20O6/c1-4-11(2,3)17-10-9(15)8(14)7(13)6(5-12)16-10/h4,6-10,12-15H,1,5H2,2-3H3/t6-,7-,8+,9-,10+/m1/s1

InChIKey

ZEGGZNOPAPRAIG-SPFKKGSWSA-N

Chemical Structure

2D Structure

CAS: 63026-02-8

CID: 5316128

Formula: C11H20O6

MW: 248.27

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	248.27
XLogP3	-1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	248.12598835
Monoisotopic Mass	248.12598835
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
NCA02602-01	Crenulatin

Crenulatin

Chemical Information

Alternative Products

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