CIV8_5.1
AlkaPlorer ID: AK002165
Synonym: '', 'ConMedNP.385', "5'-O-Demethyldioncophylline A"
IUPAC Name: (1R,3R)-7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Structure
SMILES: COC1=CC(C)=C(C2=CC=C3C[C@@H](C)N[C@H](C)C3=C2O)C2=CC=CC(O)=C12
InChI: InChI=1S/C23H25NO3/c1-12-10-19(27-4)22-16(6-5-7-18(22)25)20(12)17-9-8-15-11-13(2)24-14(3)21(15)23(17)26/h5-10,13-14,24-26H,11H2,1-4H3/t13-,14-/m1/s1
InChIKey: PBUONONRMDRRLQ-ZIAGYGMSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus ileboensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.4570000000001
TPSA？: 61.72
MolLogP？: 4.830220000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | EC50 | 1500.0 | nM | 10.1021/acs.jnatprod.6b00967 |