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Atalaphillinine

CAT: 0013-GTR19195613-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195613-03Size:100 mg
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Description
Atalaphillinine is a natural acridone alkaloid used in biochemical research. It serves as a key compound for studying its biological activities, including potential anti-inflammatory and cytotoxic effects, in various in vitro experimental models.
CAS Number
56296-87-8
Smiles
O=C1C=2C=CC=C (O) C2NC3=C4C=CC (OC4=C (C (O) =C13) CC=C (C) C) (C) C
Molecular Formula
C23H23NO4
Molecular Weight
377.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Atalaphillinine

Atalaphillinine has been reported in Atalantia buxifolia and Atalantia monophylla with data available.

CAS Number56296-87-8
PubChem CID122681
IUPAC Name6,11-dihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano[2,3-c]acridin-7-one
Molecular FormulaC23H23NO4
Molecular Weight377.4
XLogP5.7
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity680
SMILES
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(N3)C(=CC=C4)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C23H23NO4/c1-12(2)8-9-15-21(27)17-19(14-10-11-23(3,4)28-22(14)15)24-18-13(20(17)26)6-5-7-16(18)25/h5-8,10-11,25,27H,9H2,1-4H3,(H,24,26)
InChIKey
QJMYUQUOPGKBEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Atalaphillinine
CAS: 56296-87-8
CID: 122681
Formula: C23H23NO4
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass377.16270821
Monoisotopic Mass377.16270821
Topological Polar Surface Area78.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity680
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
T30189-01Atalaphillinine

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