Emodin

CAT: 0286-E00710-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0286-E00710-01Size:100 mg

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CAS Number

518-82-1

Synonyms

1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 1,3,8-Trihydroxy-6-methylanthraquinone, 6-Methyl-1,3,8-trihydroxyanthraquinone, Emodol, Frangula-emodin

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00001207

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Emodin

Emodin is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor, a laxative and a plant metabolite. It is functionally related to an emodin anthrone. It is a conjugate acid of an emodin(1-).

CAS Number	518-82-1
PubChem CID	3220
IUPAC Name	1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Molecular Formula	C15H10O5
Molecular Weight	270.24
XLogP	2.7
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	434

SMILES

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O

InChI

InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

InChIKey

RHMXXJGYXNZAPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 518-82-1

CID: 3220

Formula: C15H10O5

MW: 270.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	270.24
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	270.05282342
Monoisotopic Mass	270.05282342
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	434
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

Alternative Products

Catalog	Name
TRC-E523000-100MG	Emodin

Emodin

Chemical Information

Alternative Products

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