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euxanthone - Substance Summary (SID 12247)


Drug and Chemical Information: (Total:1)         

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Data Source:   
Depositor: KEGG
External ID: C10061

Depositor-Supplied Synonyms: (Total: 4)
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Euxanthone
1,7-Dihydroxyxanthone
C10061
529-61-3


Properties Computed from Structure:
Molecular Weight228.20022 [g/mol]
Molecular FormulaC13H8O4
XLogP3-AA2.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count0
Tautomer Count14
Exact Mass228.042259
MonoIsotopic Mass228.042259
Topological Polar Surface Area66.8
Heavy Atom Count17
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 1,7-dihydroxyxanthen-9-one
Canonical SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O
InChI: InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-
6,14-15H
InChIKey: KDXFPEKLLFWHMN-UHFFFAOYSA-N


Substance Information:
SID 12247   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 5281631   
Create Date: 2005-06-24

Related Substances:
Same: 10 Links

Similar Substances: 1409 Links


Depositor-Supplied Comments:
CAS: 529-61-3
KNApSAcK: C00002949
3DMET: B03504
     
Compound Displayed

2D

3D
Compound ID5281631
Molecular Weight228.20022 [g/mol]
Molecular FormulaC13H8O4
XLogP3-AA2.8
H-Bond Donor2
H-Bond Acceptor4


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