4-hydroxy-N-[4-hydroxy-1-[[5-(hydroxymethyl)furan-2-yl]methyl]azepan-3-yl]benzamide
AlkaPlorer ID: AK431123
Synonym: None
IUPAC Name: 4-hydroxy-N-[4-hydroxy-1-[[5-(hydroxymethyl)furan-2-yl]methyl]azepan-3-yl]benzamide
Structure
SMILES: O=C(NC1CN(CC2=CC=C(CO)O2)CCCC1O)C1=CC=C(O)C=C1
InChI: InChI=1S/C19H24N2O5/c22-12-16-8-7-15(26-16)10-21-9-1-2-18(24)17(11-21)20-19(25)13-3-5-14(23)6-4-13/h3-8,17-18,22-24H,1-2,9-12H2,(H,20,25)
InChIKey: KEEBVTRWMXSSNP-UHFFFAOYSA-N
Reference
Steroidal alkaloids of Marsdenia rostrata. III. Rostratine and dihydrorostratine
PubChem CID: 74505454
COCONUT: CNP0452916.1
Source
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Properties Information
Molecule Weight: 360.41
TPSA？: 106.17000000000002
MolLogP？: 1.2327999999999997
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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