O,O-Dimethylphyllostemine
Basic information
- CAS
126262-27-9- Standard SMILES
COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCCN3C2)cc1- InChIKey
WOAHFBLGXWXVSL-GOSISDBHSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Overview
O,O-Dimethylphyllostemine has been reported in Vincetoxicum tanakae with data available.
Names & identifiers
- Preferred name
- O,O-Dimethylphyllostemine
- IUPAC
- (8aR)-7-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine
Names & synonyms
O,O-Dimethylphyllostemine(-)-13aalpha-SecoantofineDTXSID70348406(-)-(R)-13aalpha-Secoantofine126262-27-9(R)-6-(4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine7-(3,4-Dimethoxy-phenyl)-6-(4-methoxy-phenyl)-1,2,3,5,8,8a-hexahydro-indolizineindolizine, 7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydro-6-(4-methoxyphenyl)-, (8aR)-RefChem:167055DTXCID60299478InChI=1/C23H27NO3/c1-25-19-9-6-16(7-10-19)21-15-24-12-4-5-18(24)14-20(21)17-8-11-22(26-2)23(13-17)27-3/h6-11,13,18H,4-5,12,14-15H2,1-3H3/t18-/m1/s(8aR)-7-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine
Show more names
CHEMBL483226SCHEMBL312382217-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine
Database identifiers
- CAS
126262-27-9- PubChem CID
- 637044
- DTXSID
DTXSID70348406- ChEMBL
CHEMBL483226- Nikkaji
- J1.811.022I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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