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1-O-Methylemodin

CAT: 0013-GTR19230025-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230025-02Size:50 mg
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Description
1-O-Methylemodin is a fungal metabolite derived from Zopfiella longicaudata. This compound demonstrates antifungal properties, making it a candidate for research in microbiology and antifungal agent development. Studies investigate its activity in both in vitro assays and model organism systems.
CAS Number
3775-08-4
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2C=C (O) C=C (O) C2C (=O) C3=C (OC) C=C (C=C13) C
Molecular Formula
C16H12O5
Molecular Weight
284.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-O-Methylemodin

6,8-Dihydroxy-1-methoxy-3-methylanthraquinone is a member of hydroxyanthraquinones.

CAS Number3775-08-4
PubChem CID10469084
IUPAC Name1,3-dihydroxy-8-methoxy-6-methylanthracene-9,10-dione
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity448
SMILES
CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=C(C=C3O)O
InChI
InChI=1S/C16H12O5/c1-7-3-9-14(12(4-7)21-2)16(20)13-10(15(9)19)5-8(17)6-11(13)18/h3-6,17-18H,1-2H3
InChIKey
IKIAXVIGUJMLHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-O-Methylemodin
CAS: 3775-08-4
CID: 10469084
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area83.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity448
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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