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Filiformine

CAT: 0013-GTR19240694-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240694-02Size:10 mg
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Description
Filiformine is an oxo-substituted aporphine alkaloid of natural origin. This small molecule is utilized in pharmacological research, particularly in studies investigating its biological activity and potential mechanisms of action in both cellular and biochemical assay systems.
CAS Number
208252-25-9
Smiles
O=C1C2=NC=CC3=C (OC) C=4OCOC4C (C=5C=C (O) C (OC) =CC15) =C23
Molecular Formula
C19H13NO6
Molecular Weight
351.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Filiformine

Filiformine has been reported in Cassytha filiformis with data available.

CAS Number208252-25-9
PubChem CID11792226
IUPAC Name17-hydroxy-7,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
Molecular FormulaC19H13NO6
Molecular Weight351.3
XLogP3
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity572
SMILES
COC1=C(C=C2C(=C1)C(=O)C3=NC=CC4=C3C2=C5C(=C4OC)OCO5)O
InChI
InChI=1S/C19H13NO6/c1-23-12-6-10-9(5-11(12)21)14-13-8(3-4-20-15(13)16(10)22)17(24-2)19-18(14)25-7-26-19/h3-6,21H,7H2,1-2H3
InChIKey
WGGQEHHBHHHIFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Filiformine
CAS: 208252-25-9
CID: 11792226
Formula: C19H13NO6
MW: 351.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass351.07428713
Monoisotopic Mass351.07428713
Topological Polar Surface Area87.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity572
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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