2-Hydroxyl emodin-1-methyl ether

CAT: 0804-HY-N9961-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N9961-01Size:1 mg

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Description

2-Hydroxyl emodin-1-methyl ether (Compound 5) is an anthraquinone that can be isolated from the seeds of Cassia obtusifolia[1].

CAS Number

346434-45-5

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/2-hydroxyl-emodin-1-methyl-ether.html

Purity

98.87

Solubility

10 mM in DMSO

Smiles

O=C1C2=C(C=C(O)C=C2O)C(C3=CC(C)=C(O)C(OC)=C13)=O

Molecular Formula

C16H12O6

Molecular Weight

300.26

References & Citations

[1]Pang X, et al. Two new naphthalene glycosides from the seeds of Cassia obtusifolia. J Asian Nat Prod Res. 2019 Oct;21 (10) :970-976.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

2,6,8-Trihydroxy-1-methoxy-3-methylanthracene-9,10-dione

2,6,8-Trihydroxy-1-methoxy-3-methylanthracene-9,10-dione has been reported in Senna obtusifolia and Ventilago leiocarpa with data available.

CAS Number	346434-45-5
PubChem CID	10086148
IUPAC Name	2,6,8-trihydroxy-1-methoxy-3-methylanthracene-9,10-dione
Molecular Formula	C16H12O6
Molecular Weight	300.26
XLogP	2.7
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	477

SMILES

CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=C(C=C3O)O

InChI

InChI=1S/C16H12O6/c1-6-3-8-12(16(22-2)13(6)19)15(21)11-9(14(8)20)4-7(17)5-10(11)18/h3-5,17-19H,1-2H3

InChIKey

JGWNHIDADWFGIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 346434-45-5

CID: 10086148

Formula: C16H12O6

MW: 300.26

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	300.26
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	300.06338810
Monoisotopic Mass	300.06338810
Topological Polar Surface Area	104 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	477
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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Alternative Products

Catalog	Name
T83382-01	2-Hydroxyl emodin-1-methyl ether
sc-263475A	Methyl 1,1,2,2-tetrafluoroethyl ether
sc-258908	1,2,2,2-Tetrafluoroethyl methyl ether
sc-503834A	Bis (1-methyl-2-hydroxyethyl) Ether
TRC-B585300-100MG	Bis(1-methyl-2-hydroxyethyl) Ether
TRC-B685140-1G	2-Bromoethyl Methyl Ether
379544	Alizarin 2-methyl ether
451280-01	Glycerol 2-Methyl Ether
TRC-C367460-25G	2-Chloroethyl Methyl Ether
sc-479003	Methyl 2-pyridylmethyl ether

2-Hydroxyl emodin-1-methyl ether

Chemical Information

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