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Odorine

CAT: 0931-TN4695Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4695Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72755-20-5
Target
Others
Related Pathways
Others
Bioactivity
Odorine has potent anti-carcinogenic effect by inhibiting both the initiation and promotion stages of two-stage skin carcinogenesis. It was found to inhibit the growth of the vinblastine-resistant KB cells by enhancing the anticancer activity of vinblastine.
Smiles
CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)\C=C\c1ccccc1
Molecular Formula
C18H24N2O2
Molecular Weight
300.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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