Lyscamine
AlkaPlorer ID: AK319301
Synonym: None
IUPAC Name: (11R,12R,13S)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
Structure
SMILES: C[N@@+]1([O-])CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2[C@H](O)[C@@H]31
InChI: InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+,19-/m1/s1
InChIKey: PQQSHMZUVWGXSV-ZIFCJYIRSA-N
Reference
Cytotoxic Constituents of the Fruits of <i>Cananga </i><i>o</i><i>dorata</i>
PubChem CID: 44584791
LOTUS: LTS0003115
SuperNatural Ⅲ: SN0292621-05
NPASS: NPC233718
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cananga odorata | Cananga | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.33700000000005
TPSA？: 61.75
MolLogP？: 2.6709000000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 8.4 | ug.mL-1 | 10.1021/np0005208 |
| None | NON-PROTEIN TARGET | IC50 | 3.4 | ug.mL-1 | 10.1021/np0005208 |