Basic information
- CAS
23407-35-4- Standard SMILES
CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC- InChIKey
NMLUOJBSAYAYEM-QALMDFCDSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.20999276
Overview
Corynantheidine is an alkaloid. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Methyl (alphaE,2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)indolo(2,3-a)quinolizine-2-acetate
- IUPAC
- methyl (E)-2-[(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
- English name
- corynantheidine
- Molecular formula
- C22H28N2O3
- Molecular weight
- 368.47
Names & synonyms
23407-35-4DTXSID801106946RefChem:1089217DTXCID901538601Methyl (alphaE,2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydro-alpha-(methoxymethylene)indolo(2,3-a)quinolizine-2-acetateCORYNANRHEIDINEUNII-QMP2RF3L41methyl (E)-2-[(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoateCHEBI:70073NSC72135INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,12BS)-Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3S,12bS)-
Show more names
Aids003036Aids-003036corynantheidine(-)-Corynantheidine[16E,20β,(-)]-16,17-Didehydro-17-methoxycorynan-16-carboxylic acid methyl esterIndolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (αE,2S,3S,12bS)-
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 1 mg/ml,DMSO: · DMF: 1 mg/ml,DMSO: 2 mg/ml,Ethanol: insol,PBS (pH 7.2): insol
- form
- A crystalline solid
- Boiling point
- 531.7 · 531.7±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- Melting point
- 117 °C · 117 °C
- pka
- 18.13 · 18.13±0.60(Predicted)
- FDA UNII
- 2 RF3L41 · QMP2RF3L41
Chemistry & industry
Applications
Uses(-)-Corynantheidine is an alkaloid obtained from bark of Pausinystalia yohimbe with immunosuppressive activity
Upstream & downstream products
Upstream raw materials
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
DefinitionChEBI: A natural product found in Uncaria macrophylla.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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