Basic information
- Standard SMILES
Cc1nc2c(o1)c1c(c3ccc4c(C)cccc4c32)OC[C@@H]1C- InChIKey
AIRHUANQVRWHJI-NSHDSACASA-N- Molecular formula
- C20H17NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12592878
Names & identifiers
- Preferred name
- Salvianan A
- IUPAC
- (5R)-5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene
Names & synonyms
Salvianan A2162956-63-8orb1981885CHEMBL4166297SCHEMBL31689742HY-N10801DA-67388CS-0636399T75553(5R)-5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene
Database identifiers
- ChEMBL
CHEMBL4166297
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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