2-[(5R)-9-bromo-4-methoxy-6-methyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(3-methoxyphenyl)ethanone
AlkaPlorer ID: AK110024
Synonym: None
IUPAC Name: 2-[(5R)-9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(3-methoxyphenyl)ethanone
Structure
SMILES: COC1=CC=CC(C(=O)C[C@@H]2C3=C(OC)C4=C(OCO4)C(Br)=C3CCN2C)=C1
InChI: InChI=1S/C21H22BrNO5/c1-23-8-7-14-17(19(26-3)21-20(18(14)22)27-11-28-21)15(23)10-16(24)12-5-4-6-13(9-12)25-2/h4-6,9,15H,7-8,10-11H2,1-3H3/t15-/m1/s1
InChIKey: CJTFTLNERNIELR-OAHLLOKOSA-N
Reference
Marine natural products: metabolites of marine algae and herbivorous marine molluscs
PubChem CID: 1403242
SuperNatural Ⅲ: SN0047608-02
Source
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Properties Information
Molecule Weight: 448.31300000000016
TPSA？: 57.23000000000001
MolLogP？: 3.997000000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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