5-(12-Cytisinylmethyl)-6-hydroxylupanine
AlkaPlorer ID: AK294125
Synonym: 12-(6-Hydroxy-5-lupaninylmethyl)cytisine
IUPAC Name: 2-hydroxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Structure
SMILES: O=C1CCC(CN2CC3CC(C2)C2=CC=CC(=O)N2C3)C2(O)C3CC(CN12)C1CCCCN1C3
InChI: InChI=1S/C27H38N4O3/c32-25-6-3-5-24-19-10-18(13-30(24)25)12-28(14-19)16-21-7-8-26(33)31-15-20-11-22(27(21,31)34)17-29-9-2-1-4-23(20)29/h3,5-6,18-23,34H,1-2,4,7-17H2
InChIKey: YCYPSQCECLHIAW-UHFFFAOYSA-N
Reference
Lupin Alkaloids from Chinese Maackia amurensis.
PubChem CID: 73200985
CAS: 278617-93-9
LOTUS: LTS0062656
COCONUT: CNP0166939.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Maackia amurensis | Maackia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 466.6260000000004
TPSA？: 69.02
MolLogP？: 1.6988000000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|