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Floribundone 1

CAT: 0804-HY-N3898Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N3898Size:1 Each
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Description
Floribundone 1 is a Anthraquinones product that can be isolated from the herbs of Senna septemtrionalis[1].
CAS Number
118555-84-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/floribundone-1.html
Smiles
COC1=C(C2=C(O)C(C(C3=C(O)C=C(C)C=C3C4=O)=O)=C4C=C2OC)C5=C(C(C6=C(O)C=C(C)C=C6C5=O)=O)C(O)=C1
Molecular Formula
C32H22O10
Molecular Weight
566.51
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Floribundone 1

1',4,5,8'-tetrahydroxy-2,3'-dimethoxy-6',7-dimethyl-[1,2'-bianthracene]-9,9',10,10'-tetrone has been reported in Senna sophera, Senna tora, and other organisms with data available.

CAS Number118555-84-3
PubChem CID11757663
IUPAC Name2-(4,5-dihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Molecular FormulaC32H22O10
Molecular Weight566.5
XLogP5.8
Topological Polar Surface Area168
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count42
Formal Charge0
Complexity1120
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C(C=C(C5=C4C(=O)C6=C(C5=O)C(=CC(=C6)C)O)O)OC)O
InChI
InChI=1S/C32H22O10/c1-11-5-13-21(16(33)7-11)30(38)23-15(28(13)36)9-19(41-3)26(32(23)40)25-20(42-4)10-18(35)24-27(25)29(37)14-6-12(2)8-17(34)22(14)31(24)39/h5-10,33-35,40H,1-4H3
InChIKey
BJHQTGSKKZLDSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Floribundone 1
CAS: 118555-84-3
CID: 11757663
Formula: C32H22O10
MW: 566.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.5
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass566.12129689
Monoisotopic Mass566.12129689
Topological Polar Surface Area168 Ų
Heavy Atom Count42
Formal Charge0
Complexity1120
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

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CatalogName
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