Aloe-Emodin

CAT: 0127-OR1012252-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1012252-01Size:250 mg

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CAS Number

481-72-1

MDL Number

MFCD00017373

Purity

98%

Smiles

OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

Storage Conditions

Store at 2-8°C

Chemical Information

Aloe emodin

Aloe emodin is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is an aromatic primary alcohol and a dihydroxyanthraquinone. It is functionally related to a chrysazin.

CAS Number	481-72-1
PubChem CID	10207
IUPAC Name	1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Molecular Formula	C15H10O5
Molecular Weight	270.24
XLogP	1.8
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	420

SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO

InChI

InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

InChIKey

YDQWDHRMZQUTBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 481-72-1

CID: 10207

Formula: C15H10O5

MW: 270.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	270.24
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	270.05282342
Monoisotopic Mass	270.05282342
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	420
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

Related Products

Catalog	Name
BI12137-01	Emodin
BUP14646-01	Emodin
BUP23758-01	Aloe vera
BUP07503-01	Emodin-8-glucoside
BUP00356-01	Emodin 6-O-ß-D-glucoside
BUP08258-01	Emodin-1-O-ß-D-glucopyranoside
OR1022946-01	Emodin-8-Beta-D-Glucoside
OR471218	Aloc-D-Ala-Phe-Lys (Aloc) -PAB-PNP
OR1028272-01	H-Lys (Aloc) -OH
OR1012538-01	Boc-Orn (Aloc) -OH

Alternative Products

Catalog	Name
540008	Aloe Emodin
TRC-A575400-100MG	Aloe-emodin
sc-479539	Aloe-emodin-d5
A10057-20	Aloe-emodin 20mg
T29887-01	Aloe emodin anthrone
MBS5779518	Aloe-emodin-glucoside
A10057-500	Aloe-emodin 500mg

Aloe-Emodin

Chemical Information

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