3-{1,9-dihydroxy-2,2-dimethyl-3-oxo-1H,2H,3H,9H,9aH-imidazo[1,2-a]indol-9-yl}-2-(4-oxo-3,4-dihydroquinazolin-3-yl)propanoic acid
AlkaPlorer ID: AK037305
Synonym: None
IUPAC Name: (2S)-3-[(3aR,4S)-3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoic acid
Structure
SMILES: CC1(C)C(=O)N2C3=CC=CC=C3[C@@](O)(C[C@@H](C(=O)O)N3C=NC4=CC=CC=C4C3=O)[C@H]2N1O
InChI: InChI=1S/C23H22N4O6/c1-22(2)21(31)26-16-10-6-4-8-14(16)23(32,20(26)27(22)33)11-17(19(29)30)25-12-24-15-9-5-3-7-13(15)18(25)28/h3-10,12,17,20,32-33H,11H2,1-2H3,(H,29,30)/t17-,20+,23-/m0/s1
InChIKey: GVRDYBOOMKTYKH-WGGBDISSSA-N
Reference
Degraded and Oxetane-Bearing Limonoids from the Roots of Melia azedarach
PubChem CID: 38359114
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 450.45100000000014
TPSA？: 136.20000000000002
MolLogP？: 1.4562000000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|