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Lythrine

CAT: 0804-HY-121367-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121367-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lythrine is an alkaloid originally isolated from H. salicifolia that inhibits prostaglandin synthetase (IC50=469 μM) .
CAS Number
5286-10-2
Product Name Alternative
(+) -Lythrine
UNSPSC
12352005
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/lythrine.html
Smiles
COC1=CC([C@]2(N3CCCC[C@]3(C[C@]4(C2)[H])[H])[H])=C(C=C1OC)C5=CC(/C=C\C(O4)=O)=CC=C5O
Molecular Formula
C26H29NO5
Molecular Weight
435.51
References & Citations
[1]Lema, et al. Prostaglandin synthetase inhibition by alkaloids of Heimia salicifolia. J. Ethnopharmacol. 15 (2), 161-167 (1986) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Lythrine

(+)-Lythrine is a member of quinolizidines.

CAS Number5286-10-2
PubChem CID6441299
IUPAC Name(1S,13Z,17S,19S)-9-hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26),13-heptaen-15-one
Molecular FormulaC26H29NO5
Molecular Weight435.5
XLogP4.6
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity698
SMILES
COC1=C(C=C2C(=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)/C=C\C5=CC2=C(C=C5)O)OC
InChI
InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7-/t17-,18-,22-/m0/s1
InChIKey
WCZWUYYJZVBKDZ-ZQMQQCDVSA-N
Chemical Structure
2D Structure
2D structure of Lythrine
CAS: 5286-10-2
CID: 6441299
Formula: C26H29NO5
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass435.20457303
Monoisotopic Mass435.20457303
Topological Polar Surface Area68.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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