Fagarine I; O10-De-Me
AlkaPlorer ID: AK025166
Synonym: Thalictrisine, Alkaloid AA2, Alkaloid ED, Thalictricine
IUPAC Name: 7-hydroxy-8-methoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
Structure
SMILES: COC1=C(O)C=CC2=C1CN(C)CCC1=CC3=C(C=C1C(=O)C2)OCO3
InChI: InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)17(23)7-12-3-4-16(22)20(24-2)15(12)10-21/h3-4,8-9,22H,5-7,10-11H2,1-2H3
InChIKey: JUQBPFGIFICIIN-UHFFFAOYSA-N
Reference
The alkaloids ofThalictrum simplex. The structure of thalictricine
PubChem CID: 5321910
LOTUS: LTS0061553
SuperNatural Ⅲ: SN0175722
NPASS: NPC157894
COCONUT: CNP0366989
Source
Properties Information
Molecule Weight: 355.3900000000001
TPSA？: 68.23
MolLogP？: 2.5428000000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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