Thalictruberine
Basic information
- CAS
42971-15-3- Standard SMILES
COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4- InChIKey
WSVWKHTVFGTTKJ-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- Thalictruberine
- IUPAC
- 18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
Names & synonyms
Thalictruberine(+/-)-nantenine42971-15-3CHEMBL467094SCHEMBL1254591DTXSID00962816BDBM501149201,2-dimethoxy-9,10-methylenedioxyaporphineAE-508/211350341,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H,10H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-
Database identifiers
- CAS
42971-15-3- PubChem CID
- 181743
- DTXSID
DTXSID00962816- ChEMBL
CHEMBL467094- Nikkaji
- J2.927.020A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
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Related reactions
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Compound notes
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