Adouetine Z
AlkaPlorer ID: AK283367
Synonym: N,N-Dimethylphenylalanyl-N-[5,8-dioxo-3-phenyl-7-(phenylmethyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]prolinamide, N-Methylferetine, Adouetine
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-(dimethylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: CN(C)C(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/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)
InChIKey: WQGSMNQYDWWZGF-UHFFFAOYSA-N
Reference
Über Inhaltsstoffe von <i>Melochia pyramidata</i> L.
PubChem CID: 3539507
CAS: 19542-40-6
LOTUS: LTS0084629
COCONUT: CNP0241411.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Feretia apodanthera | Feretia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Melochia pyramidata | Melochia | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Waltheria | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 699.8520000000002
TPSA？: 130.55
MolLogP？: 6.804300000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|