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Angustin A

CAT: 0804-HY-N2872Size: 1 EachDry Ice: NoHazardous: No
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Description
Angustin A (1,8-Dihydroxy-4,6,7-trimethoxyxanthone) is a xanthones that can be isolated from the aerial parts of Swertia angustifolia[1].
CAS Number
1415795-50-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/angustin-a.html
Solubility
10 mM in DMSO
Smiles
COC1=C2C(C(C3=C(O)C(OC)=C(OC)C=C3O2)=O)=C(O)C=C1
Molecular Formula
C16H14O7
Molecular Weight
318.28
References & Citations
[1]Zhu BK, et al. Two new xanthones from Swertia angustifolia. J Asian Nat Prod Res. 2012;14 (2) :154-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Angustin A

1,8-dihydroxy-2,3,5-trimethoxyxanthen-9-one has been reported in Swertia angustifolia with data available.

CAS Number1415795-50-4
PubChem CID124544647
IUPAC Name1,8-dihydroxy-2,3,5-trimethoxyxanthen-9-one
Molecular FormulaC16H14O7
Molecular Weight318.28
XLogP2.7
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity442
SMILES
COC1=C2C(=C(C=C1)O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)O
InChI
InChI=1S/C16H14O7/c1-20-8-5-4-7(17)11-13(18)12-9(23-15(8)11)6-10(21-2)16(22-3)14(12)19/h4-6,17,19H,1-3H3
InChIKey
YHSSNUSRPSUDRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Angustin A
CAS: 1415795-50-4
CID: 124544647
Formula: C16H14O7
MW: 318.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.28
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass318.07395278
Monoisotopic Mass318.07395278
Topological Polar Surface Area94.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity442
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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