Cananodine
AlkaPlorer ID: AK070191
Synonym: None
IUPAC Name: 2-[(5R,8R)-2,5-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-yl]propan-2-ol
Structure
SMILES: CC1=CC=C2C(=N1)C[C@H](C(C)(C)O)CC[C@H]2C
InChI: InChI=1S/C15H23NO/c1-10-5-7-12(15(3,4)17)9-14-13(10)8-6-11(2)16-14/h6,8,10,12,17H,5,7,9H2,1-4H3/t10-,12-/m1/s1
InChIKey: LWYMRLDOLMZJGZ-ZYHUDNBSSA-N
Reference
Cytotoxic Constituents of the Fruits of <i>Cananga </i><i>o</i><i>dorata</i>
PubChem CID: 10059898
LOTUS: LTS0155832
SuperNatural Ⅲ: SN0217684-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cananga odorata | Cananga | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 233.355
TPSA？: 33.120000000000005
MolLogP？: 3.216920000000002
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 0.22 | ug.mL-1 | 10.1021/np0005208 |
| None | NON-PROTEIN TARGET | IC50 | 3.8 | ug.mL-1 | 10.1021/np0005208 |