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Tajixanthone

CAT: 0931-T75463-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75463-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35660-48-1
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Tajixanthone is a metabolite produced by the fungus Aspergillus variecolor [1].
Smiles
O[C@H]1C=2C3=C(OC=4C(C3=O)=C(O)C=CC4C[C@H]5C(C)(C)O5)C=C(C)C2OC[C@@H]1C(C)=C
Molecular Formula
C25H26O6
Molecular Weight
422.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tajixanthone

tajixanthone has been reported in Aspergillus stellatus and Aspergillus rugulosus with data available.

CAS Number35660-48-1
PubChem CID15663814
IUPAC Name(1R,2S)-8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
Molecular FormulaC25H26O6
Molecular Weight422.5
XLogP4.5
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity748
SMILES
CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)C[C@H]5C(O5)(C)C)O
InChI
InChI=1S/C25H26O6/c1-11(2)14-10-29-23-12(3)8-16-19(20(23)21(14)27)22(28)18-15(26)7-6-13(24(18)30-16)9-17-25(4,5)31-17/h6-8,14,17,21,26-27H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1
InChIKey
JQICHFPFNAEVIG-DAESXHAQSA-N
Chemical Structure
2D Structure
2D structure of Tajixanthone
CAS: 35660-48-1
CID: 15663814
Formula: C25H26O6
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass422.17293854
Monoisotopic Mass422.17293854
Topological Polar Surface Area88.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N10235Tajixanthone

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