Evodine

CAT: 1299-RM-E477001-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E477001-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6989-38-4

Synonyms

1- ((4,8-dimethoxyfuro[2,3-b]quinolin-7-yl) oxy) -3-methylbut-3-en-2-ol

Molecular Formula

C18H19NO5

Molecular Weight

329.35

Target Alternative Name

Evodine

Product Name Synonym

1- ((4,8-dimethoxyfuro[2,3-b]quinolin-7-yl) oxy) -3-methylbut-3-en-2-ol

Chemical Information

Evodine

Evodine has been reported in Tetradium ruticarpum, Skimmia reevesiana, and other organisms with data available.

CAS Number	6989-38-4
PubChem CID	398789
IUPAC Name	1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
Molecular Formula	C18H19NO5
Molecular Weight	329.3
XLogP	3.5
Topological Polar Surface Area	74
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	445

SMILES

CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O

InChI

InChI=1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3

InChIKey

LNJTUUHDKCPQAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6989-38-4

CID: 398789

Formula: C18H19NO5

MW: 329.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.3
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	329.12632271
Monoisotopic Mass	329.12632271
Topological Polar Surface Area	74 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5751112	Evodine
T131599-01	Limonin (Citrolimon; Evodine; Dictamnolactone; Obaculactone)
300565	Limone (Citrolimonin, Evodine, Dictamnolactone, Obaculactone)