Basic information
- CAS
605-34-5- Standard SMILES
COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2- InChIKey
KNWVMRVOBAFFMH-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Overview
(R,S)-Scoulerine is an alkaloid.
Names & identifiers
- Preferred name
- Scoulerine
- IUPAC
- 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
- English name
- discretamine
- Molecular formula
- Cl9H21N04
- Molecular weight
- 0
Names & synonyms
ScoulerineDiscretamineDTXSID808950573,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol6H-Dibenzo(a,g)quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,9-diol6h-dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-RefChem:931492DTXCID601324613Aequaline605-34-5(RS)-Scoulerine
Show more names
(R,S)-Scoulerine6451-72-5(-)-Scoulerinl-Scoulerinel-Skoulerine3,10-Dimethoxy-13a-alpha-berbine-2,9-diolKNWVMRVOBAFFMH-UHFFFAOYSA-N2,9-Dioxy-3,10-dimethoxyberbine
Database identifiers
- CAS
605-34-5、6451-72-5、6451-73-6- PubChem CID
- 22955
- DTXSID
DTXSID80895057- ChEMBL
CHEMBL1235966、CHEMBL191133
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Chemistry & industry
Applications
DescriptionA proto berberine alkaloid, discretamine has been isolated from Xylopia discreta and has recently been shown to have the structure given above. It contains two methoxyl and two phenolic hydroxyl groups in the molecule.
Suppliers1 total
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
Additional notes
DefinitionChEBI: (R,S)-Scoulerine is an alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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