Basic information
- CAS
2271-08-1- Standard SMILES
CN1CCc2ccc(O)c3c2[C@@H]1Cc1cc2c(cc1O3)OCO2- InChIKey
RUNKBNVIYGVBMW-LBPRGKRZSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Overview
Cularicine is an alkaloid.
Names & identifiers
- Preferred name
- Cularicine
- IUPAC
- (13S)-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(20),3,5(9),10,17(21),18-hexaen-20-ol
- English name
- cularicine
- Molecular formula
- C18H17NO4
- Molecular weight
- 311.33188
Names & synonyms
Cularicine2271-08-1(13S)-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(20),3,5(9),10,17(21),18-hexaen-20-olC09398CHEBI:3955DTXSID40331769Q27106272(13aS)-1-Methyl-2,3,13,13a-tetrahydro-1H,10H-[1,3]dioxolo[7,8][1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
Database identifiers
- CAS
2271-08-1- PubChem CID
- 442201
- DTXSID
DTXSID40331769- ChEBI
CHEBI:3955- Nikkaji
- J2.769.800J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Chemistry & industry
Additional notes
DefinitionChEBI: Cularicine is an alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…