Basic information
- CAS
24148-86-5- Standard SMILES
COC1=C(OC)C23CCc4ccc(OC)c(O)c4C2(CCN3C)CC1=O- InChIKey
XLWYWPDYNLZUJS-UHFFFAOYSA-N- Molecular formula
- C20H25NO5
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.1732729
Overview
Hasubanonine, O4-demethyl- has been reported in Stephania cephalantha and Stephania excentrica with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
- IUPAC
- 3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Names & synonyms
4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-oneHasubanonine, O4-demethyl-SCHEMBL8213521DTXSID00946979NSC135030
Database identifiers
- CAS
24148-86-5- PubChem CID
- 281986
- DTXSID
DTXSID00946979
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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