Integerrenine
AlkaPlorer ID: AK302593
Synonym: 2-(Dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,16-tetraen-4-yl]pentanamide
IUPAC Name: 2-(dimethylamino)-3-methyl-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Structure
SMILES: CCC(C)C(C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC=CC2=CC=C(C=C2)OC1C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)
InChIKey: KGRSGRNSVOPQEA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melochia pyramidata | Melochia | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000001
TPSA？: 99.77
MolLogP？: 3.899200000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|