GEN25_43.1
AlkaPlorer ID: AK003389
Synonym: '', 'Ancistrobertsonine B', 'Ancistrocladonine', 'O,N-Dimethylancistrocladine'
IUPAC Name: (1R,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: COC1=C(C2=C(C)C=C(OC)C3=C2C=CC=C3OC)C2=C(C(OC)=C1)[C@@H](C)N(C)[C@@H](C)C2
InChI: InChI=1S/C27H33NO4/c1-15-12-21(30-6)26-18(10-9-11-20(26)29-5)24(15)27-19-13-16(2)28(4)17(3)25(19)22(31-7)14-23(27)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17+/m0/s1
InChIKey: KKJVVBRCACGMIS-DLBZAZTESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus robertsoniorum | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.5640000000002
TPSA？: 40.16
MolLogP？: 5.787020000000006
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|