Ruspolinone; (±)-form, O4'-De-Me, N-Me
AlkaPlorer ID: AK312782
Synonym: Phyllosterone
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)ethanone
Structure
SMILES: COC1=C(O)C=CC(C(=O)CC2CCCN2C)=C1
InChI: InChI=1S/C14H19NO3/c1-15-7-3-4-11(15)9-13(17)10-5-6-12(16)14(8-10)18-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKey: LBNRVYIIEPDWHO-UHFFFAOYSA-N
Reference
Alkaloids of Cryptocarya phyllostemon
PubChem CID: 14489133
LOTUS: LTS0062578
NPASS: NPC469540
COCONUT: CNP0383420.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus septica | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Cryptocarya | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 249.30999999999992
TPSA？: 49.77
MolLogP？: 2.0678
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 160000.0 | nM | 10.1021/np900580f |
| None | NON-PROTEIN TARGET | IC50 | 160000.0 | nM | 10.1021/np900580f |