N-acetylnonaine
AlkaPlorer ID: AK005541
Synonym: '(-)-N-Acetylanonaine', 'N-Acetylbongaridine'
IUPAC Name: 1-[(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]ethanone
Structure
SMILES: CC(=O)N1CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2C[C@H]31
InChI: InChI=1S/C19H17NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,9,15H,6-8,10H2,1H3/t15-/m1/s1
InChIKey: XVIHBNVDAPQBRH-OAHLLOKOSA-N
Reference
Cytotoxic Sesquiterpenes from <i>Magnolia kachirachirai</i>
PubChem CID: 6453733
CAS: 5894-74-6
LOTUS: LTS0126103
SuperNatural Ⅲ: SN0441071-01
NPASS: NPC241055
data_source: manually
Source
Properties Information
Molecule Weight: 307.34900000000005
TPSA？: 38.77
MolLogP？: 3.084100000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.1c00896 |
| Mus musculus | RAW264.7 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.1c00146 |
| Pimephales promelas | Pimephales promelas | IC50 | 300000.0 | nM | 10.1021/np50044a027 |