8-O-benzyldioncophylline A
AlkaPlorer ID: AK005297
Synonym: None
IUPAC Name: (1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-8-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
Structure
SMILES: C[C@@H]1CC2=C([C@H](N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)OCC5=CC=CC=C5
InChI: InChI=1S/C31H33NO3/c1-19-16-27(34-5)30-24(12-9-13-26(30)33-4)28(19)25-15-14-23-17-20(2)32-21(3)29(23)31(25)35-18-22-10-7-6-8-11-22/h6-16,20-21,32H,17-18H2,1-5H3/t20-,21-/m1/s1
InChIKey: FHALVTUCNXEXPF-NHCUHLMSSA-N
Reference
PubChem CID: 10647954
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 467.60900000000026
TPSA？: 39.72
MolLogP？: 7.006620000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Spodoptera littoralis | Spodoptera littoralis | EC50 | 27.1 | ug | 10.1021/np960707s |