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Combretol

CAT: 0804-HY-N7631-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7631-01Size:5 mg
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Description
Combretol is a natural compound isolated from the roots and leaves of the plant Cassipourea madagascariensis[1].
CAS Number
5084-19-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/combretol.html
Solubility
10 mM in DMSO
Smiles
O=C1C(OC)=C(C2=CC(OC)=C(OC)C(OC)=C2)OC3=CC(OC)=CC(O)=C13
Molecular Formula
C20H20O8
Molecular Weight
388.37
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]V. S. Prakash Chaturvedula, et al. New Cytotoxic Diterpenes from Cassipourea madagascariensis from the Madagascar Rainforest. J Nat Prod. 2006 Feb; 69 (2) : 287–289.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Combretol

Combretol is a pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3', 4' and 5' have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare. It has a role as a metabolite, an antileishmanial agent and a plant metabolite. It is a monohydroxyflavone and a pentamethoxyflavone. It is functionally related to a myricetin.

CAS Number5084-19-5
PubChem CID12303802
IUPAC Name5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Molecular FormulaC20H20O8
Molecular Weight388.4
XLogP3.4
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity577
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3
InChIKey
SUNUQCQIFHHEOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Combretol
CAS: 5084-19-5
CID: 12303802
Formula: C20H20O8
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass388.11581759
Monoisotopic Mass388.11581759
Topological Polar Surface Area92.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity577
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
TN1522Combretol

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