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Endocrocin

CAT: 0013-GTR19228899-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228899-02Size:2 mg
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Description
Endocrocin
CAS Number
481-70-9
Field of Research
Metabolism Research
Smiles
Cc1cc2C (=O) c3cc (O) cc (O) c3C (=O) c2c (O) c1C (O) =O
Molecular Formula
C16H10O7
Molecular Weight
314.249
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Endocrocin

Endocrocin is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8. It has a role as a metabolite. It is a monocarboxylic acid, a member of phenols and a trihydroxyanthraquinone.

CAS Number481-70-9
PubChem CID160483
IUPAC Name1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
Molecular FormulaC16H10O7
Molecular Weight314.25
XLogP2.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity545
SMILES
CC1=CC2=C(C(=C1C(=O)O)O)C(=O)C3=C(C2=O)C=C(C=C3O)O
InChI
InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23)
InChIKey
UZOHDKGTYVTYDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Endocrocin
CAS: 481-70-9
CID: 160483
Formula: C16H10O7
MW: 314.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.25
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass314.04265265
Monoisotopic Mass314.04265265
Topological Polar Surface Area132 Ų
Heavy Atom Count23
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T124800-01Endocrocin

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