O-Methylmicranthine
Basic information
- CAS
40225-93-2- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN[C@@H]5C2)CCN1C- InChIKey
DJAWTLHBPPQMPV-KAYWLYCHSA-N- Molecular formula
- C35H34N2O5
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.24677219
Names & identifiers
- Preferred name
- O-Methylmicranthine
- IUPAC
- (8R,21R)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
Names & synonyms
O-Methylmicranthine40225-93-2NSC626656NSC-626656CHEMBL2063765DTXSID604200486,12'-Dimethoxy-2-methyl-1alpha-6',7-epoxyoxyacanthan
Database identifiers
- CAS
40225-93-2- PubChem CID
- 5459136
- DTXSID
DTXSID60420048- ChEMBL
CHEMBL2063765
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 929
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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