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Pachybasin

CAT: 0931-T37267-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T37267-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2549-78-2
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9973
Bioactivity
Pachybasin is an anthraquinone fungal metabolite. Pachybasin shows antimicrobial activities against E. coli, B. subtilis, M. luteus, S. cerevisiae, C. albicans, A. niger, and A. flavus, with MIC values of 64.0 μg/mL, and against S. aureus and F. oxysporum with MIC values of 32.0 and 16.0 μg/mL respectively.
Smiles
Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1
Molecular Formula
C15H10O3
Molecular Weight
238.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9,10-Anthracenedione, 1-hydroxy-3-methyl-

Pachybasin is an anthraquinone.

CAS Number2549-78-2
PubChem CID164982
IUPAC Name1-hydroxy-3-methylanthracene-9,10-dione
Molecular FormulaC15H10O3
Molecular Weight238.24
XLogP3.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity376
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3
InChIKey
AFHWNNJNTNLCQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10-Anthracenedione, 1-hydroxy-3-methyl-
CAS: 2549-78-2
CID: 164982
Formula: C15H10O3
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass238.062994177
Monoisotopic Mass238.062994177
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity376
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
M28120-01Pachybasin

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