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Evodiamine

CAT: 1568-C08512-02Size: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C08512-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
518-17-2
Synonyms
Isoevodiamine
SKU
C08512-25mg
Target
NF-κB
Applications
NF-κB
Molecular Formula
C19H17N3O
Additionnal Information
Evodiamine (Isoevodiamine), an alkaloid extract from the fruit of Evodiae Fructus exhibits antitumor activities against the human tumor cells. It is shown to inhibit NF-κB activation through suppression of IkB kinase activity.
Storage Conditions
2 years -80 in solvent

Chemical Information

Evodiamine

Evodiamine is a member of beta-carbolines.

CAS Number518-17-2
PubChem CID442088
IUPAC Name(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
Molecular FormulaC19H17N3O
Molecular Weight303.4
XLogP3.1
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity495
SMILES
CN1[C@@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
InChI
InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
InChIKey
TXDUTHBFYKGSAH-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Evodiamine
CAS: 518-17-2
CID: 442088
Formula: C19H17N3O
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass303.137162174
Monoisotopic Mass303.137162174
Topological Polar Surface Area39.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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