Isopteropodine
Basic information
- CAS
5171-37-9- Standard SMILES
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12- InChIKey
JMIAZDVHNCCPDM-PFDNRQJHSA-N- Molecular formula
- C21H24N2O4
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.17360725
Overview
Uncarine E is a member of indolizines.
Names & identifiers
- Preferred name
- Isopteropodine
- IUPAC
- methyl (1S,4aS,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
- English name
- UNCARINE E
- Molecular formula
- C21H24N2O4
- Molecular weight
- 368.43
Names & synonyms
Isopteropodine5171-37-9allo-IsopteropodineIsopteropodinJ9IZ1U593Lmethyl (1S,4aS,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylateMethyl (1'S,3S,4a'S,5a'S,10a'S)-1'-methyl-2-oxo-4a',5',5a',7',8',10a'-hexahydro-1'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylateUNCARINEE7-IsopteropodineSMR000232333UNII-J9IZ1U593LNSC-601678
Show more names
UNCARINE EUncarine E-RMRhynchophylline EIsopteropodine (20 mg)Uncarine E,IsopteropodineIsopteropodine(Uncarine E)
NSC 601678Isopteropodine (Standard)MLS000563440MLS000728615CHEMBL562222orb3139910orb3142034ISOPTEROPODINE [USP-RS]
Database identifiers
- CAS
5171-37-9- PubChem CID
- 9885603
- DTXSID
DTXSID201317264- ChEMBL
CHEMBL562222- ChEBI
CHEBI:81205- UNII
- J9IZ1U593L
- EC Number
- 683-129-0
- Nikkaji
- J17.858F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Melting point
- 209 · 209-211 °C
- Boiling point
- 555.2 · 555.2±50.0 °C(Predicted)
- Density
- 1.33 · 1.33
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.56 · 13.56±0.60(Predicted)
- form
- Solid
- color
- Pale Yellow to Pale Beige
- FDA UNII
- 9 IZ1U593L · J9IZ1U593L
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- HS Code
- 2939800000 · 2939800000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- hs_code
- 2939800000
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
DescriptionThis alkaloid occurs in several species of Uncaria and yields colourless crystals from MeOH. It is laevorotatory with [α]D - 96° (CHCI3). The structure has been determined by spectroscopic methods.
UsesIsopteropodine is an alkaloid extract from Uncaria Tomentosathat is believed to possess antiproliferative and pro-apoptotic effects.
Additional notes
DefinitionChEBI: Uncarine E is a member of indolizines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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