Adouetine Y'; N-De-Me
AlkaPlorer ID: AK283365
Synonym: N-Demethyladouetine Y'
IUPAC Name: N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(methylamino)-3-phenylpropanamide
Structure
SMILES: CCC(C)C1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NC)C(C(C)C)OC2=CC=C(C=CNC1=O)C=C2
InChI: InChI=1S/C30H40N4O4/c1-6-20(4)25-29(36)32-17-16-21-12-14-23(15-13-21)38-27(19(2)3)26(30(37)33-25)34-28(35)24(31-5)18-22-10-8-7-9-11-22/h7-17,19-20,24-27,31H,6,18H2,1-5H3,(H,32,36)(H,33,37)(H,34,35)
InChIKey: VABCJXJBSCOYDW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus sanguineus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 520.6740000000002
TPSA？: 108.56
MolLogP？: 3.036900000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|