Baicaline; (S)-form, N-Me
AlkaPlorer ID: AK290127
Synonym: Baicalidine
IUPAC Name: 2,16,17-trimethoxy-11-methyl-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)N(C)CC3
InChI: InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20(25-4)21-19(12)26-10-27-21/h8-9,14H,5-7,10H2,1-4H3
InChIKey: SIUUPYUVEJGARI-UHFFFAOYSA-N
Reference
Alkaloids ofThalictrum baicalense
PubChem CID: 21769907
LOTUS: LTS0021948
COCONUT: CNP0186271.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum baicalense | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.41700000000014
TPSA？: 49.39000000000001
MolLogP？: 3.193200000000001
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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