Aralionine A; 1''-Deoxo
AlkaPlorer ID: AK289096
Synonym: Deoxoaralionine A, Deoxyaralionine A
IUPAC Name: N-(7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-methylpentanamide
Structure
SMILES: CCC(C)C(C(=O)NC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC=CC2=CC=C(C=C2)OC1C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C34H40N4O4/c1-5-23(2)30(38(3)4)34(41)37-29-31(26-14-10-7-11-15-26)42-27-18-16-24(17-19-27)20-21-35-32(39)28(36-33(29)40)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,39)(H,36,40)(H,37,41)
InChIKey: CNULDPFSNDIEJM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus integerrimus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 568.7180000000001
TPSA？: 99.77
MolLogP？: 4.095800000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|