Kermesic acid

CAT: 0013-GTR19242206-02Size: 10 mgDry Ice: NoHazardous: No

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Description

Kermesic acid is a natural anthraquinone dye and animal metabolite derived from Kermes ilices insects. It serves as a research tool in studies of natural pigments and has been investigated in vitro for its potential bioactive properties.

CAS Number

18499-92-8

Smiles

O=C (O) C1=C (O) C=C2C (=O) C=3C (O) =C (O) C=C (O) C3C (=O) C2=C1C

Molecular Formula

C16H10O8

Molecular Weight

330.25

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Kermesic Acid

Kermesic acid is a tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by methyl and carboxy groups at positions 1 and 2 respectively. It is a natural dye isolated from the insect species Kermes ilices. It has a role as a dye and an animal metabolite. It is a monocarboxylic acid and a tetrahydroxyanthraquinone. It is a conjugate acid of a kermesate.

CAS Number	18499-92-8
PubChem CID	11727234
IUPAC Name	3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Molecular Formula	C16H10O8
Molecular Weight	330.24
XLogP	3
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	574

SMILES

CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)O)O

InChI

InChI=1S/C16H10O8/c1-4-9-5(2-6(17)10(4)16(23)24)13(20)12-11(15(9)22)7(18)3-8(19)14(12)21/h2-3,17-19,21H,1H3,(H,23,24)

InChIKey

CXORMDKZEUMQHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18499-92-8

CID: 11727234

Formula: C16H10O8

MW: 330.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	330.24
XLogP3	3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	330.03756727
Monoisotopic Mass	330.03756727
Topological Polar Surface Area	152 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	574
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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Kermesic acid

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