Basic information
- CAS
19879-44-8- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3- InChIKey
UUURWWVPMHAACP-UHFFFAOYSA-N- Molecular formula
- C38H42N2O6
- Average molar mass
- 622.7 g/mol
- Monoisotopic mass
- 622.30428706
Names & identifiers
- Preferred name
- Thalicberine, O-methyl
- IUPAC
- 10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene
Names & synonyms
THALICBERINE, O-METHYL19879-44-810,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene(-)-O-MethylisothalicberineCHEMBL2005418NSC269189NSC374609THALICBERINE,(-)-O-METHYLISOAKOS037623529NSC-269189NSC-374609NCI60_002192
Database identifiers
- CAS
19879-44-8、5096-71-9- PubChem CID
- 320712
- ChEMBL
CHEMBL2005418
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 979
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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