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Odorine

CAT: 0804-HY-N3155Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N3155Size:1 Each
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Description
Odorine (Roxburghiline) is a natural product isolated from branches and leaves of Aglaia odorata. Odorine has potential antineoplastic activity and can inhibit both the initiation and promotion stages of skin cancer[1].
CAS Number
72755-20-5
Product Name Alternative
Roxburghiline
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/odorine.html
Solubility
10 mM in DMSO
Smiles
CC[C@H](C)C(N[C@@H]1N(CCC1)C(/C=C/C2=CC=CC=C2)=O)=O
Molecular Formula
C18H24N2O2
Molecular Weight
300.40
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]A Inad, et al. Cancer chemopreventive activity of odorine and odorinol from Aglaia odorata. Biol Pharm Bull. 2001 Nov;24 (11) :1282-5.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Odorine

(2S)-2-methyl-N-[(2R)-1-[(2E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanimidic acid has been reported in Aglaia argentea, Aglaia odorata, and other organisms with data available.

CAS Number72755-20-5
PubChem CID23242585
IUPAC Name(2S)-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
Molecular FormulaC18H24N2O2
Molecular Weight300.4
XLogP3.7
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16+/m0/s1
InChIKey
KZAOEMMZRGEBST-IXVOVUJJSA-N
Chemical Structure
2D Structure
2D structure of Odorine
CAS: 72755-20-5
CID: 23242585
Formula: C18H24N2O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass300.183778013
Monoisotopic Mass300.183778013
Topological Polar Surface Area49.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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