Ancistrobrevine B; Atropisomer, 5'-O-de-Me, 6-Me ether
AlkaPlorer ID: AK287874
Synonym: Ancistroealaine B
IUPAC Name: 4-(6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-8-methoxy-6-methylnaphthalen-1-ol
Structure
SMILES: COC1=C(C2=CC=C(O)C3=C(OC)C=C(C)C=C23)C2=C(C(OC)=C1)C(C)NC(C)C2
InChI: InChI=1S/C25H29NO4/c1-13-9-17-16(7-8-19(27)25(17)20(10-13)28-4)24-18-11-14(2)26-15(3)23(18)21(29-5)12-22(24)30-6/h7-10,12,14-15,26-27H,11H2,1-6H3
InChIKey: NEXWIAAPMUHYEP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus ealaensis | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 407.5100000000001
TPSA？: 59.95
MolLogP？: 5.1418200000000045
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|