Guadiscidine; Me ether
AlkaPlorer ID: AK192918
Synonym: 9-O-Methylguadiscidine, Guadiscine
IUPAC Name: 16-methoxy-13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene
Structure
SMILES: COC1=CC=C2C(=C1)C(C)(C)C1=NCCC3=CC4=C(OCO4)C2=C13
InChI: InChI=1S/C20H19NO3/c1-20(2)14-9-12(22-3)4-5-13(14)17-16-11(6-7-21-19(16)20)8-15-18(17)24-10-23-15/h4-5,8-9H,6-7,10H2,1-3H3
InChIKey: ASTGNJYKPPDKTL-UHFFFAOYSA-N
Reference
Alcaloïdes des Annonacées, XLVIII. Alcaloïdes des Écorces de Guatteria discolor
PubChem CID: 10313983
CAS: 84679-87-8
LOTUS: LTS0248979
SuperNatural Ⅲ: SN0014407
NPASS: NPC182430
COCONUT: CNP0256946
Source
Properties Information
Molecule Weight: 321.3760000000001
TPSA？: 40.05
MolLogP？: 3.727300000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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