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Coronarin D

CAT: 0013-GTR19181798Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181798Size:5 mg
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Description
Coronarin D is a natural product with antifungal activity against C. albicans (MIC 2 mg/mL) and antibacterial effects against Gram-positive bacteria. Its mechanism involves inhibiting the NF-κB pathway, impacting inflammation and apoptosis, making it a candidate for research in infectious disease and anti-inflammatory studies.
CAS Number
119188-37-3
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Neuroscience, Protein Biochemistry, Signal Transduction
Smiles
CC1 (C) CCCC2 (C) C (CC=C3CC (O) OC3=O) C (=C) CCC12 |w:10.9|
Molecular Formula
C20H30O3
Molecular Weight
318.457
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coronarin D

Coronarin D has been reported in Hedychium coronarium with data available.

CAS Number119188-37-3
PubChem CID52947373
IUPAC Name(3Z)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-hydroxyoxolan-2-one
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity545
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C\3/CC(OC3=O)O)(C)C
InChI
InChI=1S/C20H30O3/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14-12-17(21)23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7-/t15-,16-,17?,20+/m0/s1
InChIKey
DYYYQLXAGIXUGM-FKKKBMQXSA-N
Chemical Structure
2D Structure
2D structure of Coronarin D
CAS: 119188-37-3
CID: 52947373
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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