Baicaline; (S)-form
AlkaPlorer ID: AK290126
Synonym: None
IUPAC Name: 2,16,17-trimethoxy-4,6-dioxa-11-azapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),8(20),14,16,18-hexaene
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C3=C(OCO3)C3=C1C(C2)NCC3
InChI: InChI=1S/C20H21NO5/c1-22-14-7-10-6-13-16-11(4-5-21-13)18-20(26-9-25-18)19(24-3)17(16)12(10)8-15(14)23-2/h7-8,13,21H,4-6,9H2,1-3H3
InChIKey: SZMVKWFJCYTPOI-UHFFFAOYSA-N
Reference
Alkaloids ofThalictrum baicalense
PubChem CID: 13647315
LOTUS: LTS0108721
COCONUT: CNP0224629.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum baicalense | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.3900000000001
TPSA？: 58.18000000000001
MolLogP？: 2.851
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|