6-Amino-1-(3,4-dihydroxyphenyl)-1-hexanone; O4',N,N-Tri-Me
AlkaPlorer ID: AK047874
Synonym: 6-(Dimethylamino)-1-(3-hydroxy-4-methoxyphenyl)-1-hexanone, Ficuseptamine B
IUPAC Name: 6-(dimethylamino)-1-(3-hydroxy-4-methoxyphenyl)hexan-1-one
Structure
SMILES: COC1=C(O)C=C(C(=O)CCCCCN(C)C)C=C1
InChI: InChI=1S/C15H23NO3/c1-16(2)10-6-4-5-7-13(17)12-8-9-15(19-3)14(18)11-12/h8-9,11,18H,4-7,10H2,1-3H3
InChIKey: KHPBRJKLVIUPRG-UHFFFAOYSA-N
Reference
Aminocaprophenone- and Pyrrolidine-Type Alkaloids from the Leaves of <i>Ficus septica</i>
PubChem CID: 44614017
CAS: 1201799-18-9
LOTUS: LTS0169258
SuperNatural Ⅲ: SN0185842
NPASS: NPC138438
COCONUT: CNP0178010
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus septica | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 265.3529999999999
TPSA？: 49.77
MolLogP？: 2.7055000000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 23000.0 | nM | 10.1021/np900580f |
| None | NON-PROTEIN TARGET | IC50 | 72000.0 | nM | 10.1021/np900580f |