Adouetine Z; N-De-Me
AlkaPlorer ID: AK283368
Synonym: Feretine, N-Demethyladouetine Z
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)-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: CNC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)NC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC=CC2=CC=C(C=C2)OC1C1=CC=CC=C1
InChI: InChI=1S/C41H43N5O5/c1-42-34(27-30-14-7-3-8-15-30)41(50)46-25-11-18-35(46)39(48)45-36-37(31-16-9-4-10-17-31)51-32-21-19-28(20-22-32)23-24-43-38(47)33(44-40(36)49)26-29-12-5-2-6-13-29/h2-10,12-17,19-24,33-37,42H,11,18,25-27H2,1H3,(H,43,47)(H,44,49)(H,45,48)
InChIKey: QZLSSRAQRFGBOT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Feretia apodanthera | Feretia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 685.8250000000002
TPSA？: 128.87
MolLogP？: 3.9412000000000056
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|