Stenantherine
Basic information
- CAS
119089-37-1- Standard SMILES
COc1c2c3c(c(OC)c1OC)-c1c(O)cccc1C[C@H]3NCC2- InChIKey
VXYDNYIPLBSIQS-GFCCVEGCSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Overview
Stenantherine has been reported in Neostenanthera gabonensis with data available.
Names & identifiers
- Preferred name
- Stenantherine
- IUPAC
- (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Names & synonyms
Stenantherine119089-37-1(6ar)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-11-ol4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,3-trimethoxy-, (R)-(6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-11-olRefChem:382021DTXSID709228661,2,3-Trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Database identifiers
- CAS
119089-37-1- PubChem CID
- 189607
- DTXSID
DTXSID70922866
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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