(1S)-1,2,3,4-Tetrahydro-8-methoxy-1alpha,3beta-dimethyl-5-[(aR)-4,5-dimethoxy-2-methyl-1-naphthalenyl]isoquinoline-6-ol
Basic information
- CAS
32221-59-3- Standard SMILES
COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1C(C)NC(C)C2- InChIKey
XUFOYASAFNKRRE-UHFFFAOYSA-N- Molecular formula
- C25H29NO4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.20965841
Overview
CID 4332940 has been reported in Ancistrocladus, Ancistrocladus hamatus, and other organisms with data available.
Names & identifiers
- Preferred name
- (1S)-1,2,3,4-Tetrahydro-8-methoxy-1alpha,3beta-dimethyl-5-[(aR)-4,5-dimethoxy-2-methyl-1-naphthalenyl]isoquinoline-6-ol
- IUPAC
- 5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
- English name
- ancistrocladine
- Molecular formula
- C25H29NO4
- Molecular weight
- 407.5
Names & synonyms
56688-90-5(1S)-1,2,3,4-Tetrahydro-8-methoxy-1alpha,3beta-dimethyl-5-[(aR)-4,5-dimethoxy-2-methyl-1-naphthalenyl]isoquinoline-6-olancistrocladine [M+H]+DTXSID701378532(1S,3S,5R)-5-(4,5-Dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-6-isoquinolinolAncistrocladinancistrocladine(-)-Ancistrocladin/Hamatin6-O-Methyl-4'-O-demethylhamatine5-(4,5-Dimethoxy-2-methyl-1-naphtyl)-1,2,3,4-tetrahydro-8-methoxy-1α,3β-dimethylisoquinolin-6-ol5-(4,5-Dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-6-isoquinolinol(1S)-1,2,3,4-Tetrahydro-6-hydroxy-8-methoxy-5-(4,5-dimethoxy-2-methyl-1-naphtyl)-1α,3β-dimethylisoquinoline
Show more names
6-Isoquinolinol, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-, (1S,3S,5S)-6-Isoquinolinol, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-, stereoisomer
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- Boiling point
- 565.3 · 565.3±50.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 8.19 · 8.19±0.60(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Ancistrocladine is a member of isoquinolines and a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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