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Uncarine A

CAT: 0804-HY-N9163Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N9163Size:1 Each
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Description
Uncarine A is a oxindole alkaloid, which can be isolated from Ulzcaria berlzaysii F. Muell[1].
CAS Number
6899-73-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/uncarine-a.html
Solubility
10 mM in DMSO
Smiles
O=C1[C@@]2(C3=CC=CC=C3N1)[C@@]4([H])N(C[C@@]5([H])[C@](C(C(OC)=O)=CO[C@@H]5C)([H])C4)CC2
Molecular Formula
C21H24N2O4
Molecular Weight
368.43
References & Citations
[1]AF Beecham, et al. The stereochemistry of oxindole alkaloids: uncarines A, B (formosanine), C (pteropodine), D (speciophylline), E (isopteropodine), and F. Australian Journal of Chemistry 21 (2) 491-504.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl (1'R,3S,4'aS,5'aS,10'aR)-1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxospiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylate

Uncarine A is a member of indolizines.

CAS Number6899-73-6
PubChem CID188999
IUPAC Namemethyl (1R,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Molecular FormulaC21H24N2O4
Molecular Weight368.4
XLogP1.6
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity692
SMILES
C[C@@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChI
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21+/m1/s1
InChIKey
JMIAZDVHNCCPDM-DQDWJNSRSA-N
Chemical Structure
2D Structure
2D structure of Methyl (1'R,3S,4'aS,5'aS,10'aR)-1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxospiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylate
CAS: 6899-73-6
CID: 188999
Formula: C21H24N2O4
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass368.17360725
Monoisotopic Mass368.17360725
Topological Polar Surface Area67.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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