3-butyl-7-methoxy-10-phenyl-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),4,6,9,11-pentaene-2,8-dione
AlkaPlorer ID: AK169593
Synonym: None
IUPAC Name: 2-butyl-5-methoxy-7-phenylbenzo[de]isoquinoline-1,6-dione
Structure
SMILES: CCCCN1C=C2C=C(OC)C(=O)C3=C(C4=CC=CC=C4)C=CC(=C23)C1=O
InChI: InChI=1S/C23H21NO3/c1-3-4-12-24-14-16-13-19(27-2)22(25)21-17(15-8-6-5-7-9-15)10-11-18(20(16)21)23(24)26/h5-11,13-14H,3-4,12H2,1-2H3
InChIKey: HWVYVDAOGDYGBR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xiphidium caeruleum | Xiphidium | Haemodoraceae | Commelinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.42500000000007
TPSA？: 48.3
MolLogP？: 4.652200000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|