Waltherine A
AlkaPlorer ID: AK317857
Synonym: None
IUPAC Name: N-(7-benzyl-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-(dimethylamino)-4-methylpentanamide
Structure
SMILES: CC(C)CC(C(=O)NC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC=CC2=CC=C(C=C2)OC1C(C)C)N(C)C
InChI: InChI=1S/C31H42N4O4/c1-20(2)18-26(35(5)6)30(37)34-27-28(21(3)4)39-24-14-12-22(13-15-24)16-17-32-29(36)25(33-31(27)38)19-23-10-8-7-9-11-23/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)
InChIKey: KNWLTQIEQCDNSD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Waltheria | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000001
TPSA？: 99.77
MolLogP？: 3.379100000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|