14-(N,N-dimethyl-L-valyloxy)paspalinine
AlkaPlorer ID: AK095193
Synonym: None
IUPAC Name: [(1S,4R,5S,16R,18S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-22-oxo-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-18-yl] (2S)-2-(dimethylamino)-3-methylbutanoate
Structure
SMILES: CC(C)[C@@H](C(=O)O[C@H]1C[C@H]2CC3=C(NC4=CC=CC=C34)[C@]2(C)[C@@]2(C)CC[C@@]34O[C@@H](C(=O)C=C3[C@]12O)C(C)(C)O4)N(C)C
InChI: InChI=1S/C34H44N2O6/c1-18(2)26(36(7)8)29(38)40-25-16-19-15-21-20-11-9-10-12-22(20)35-27(21)32(19,6)31(5)13-14-33-24(34(25,31)39)17-23(37)28(41-33)30(3,4)42-33/h9-12,17-19,25-26,28,35,39H,13-16H2,1-8H3/t19-,25+,26+,28+,31-,32-,33+,34+/m1/s1
InChIKey: GXPHIUYLJYRQDY-ZDDJJTGQSA-N
Reference
New paspalinine derivatives with antiinsectan activity from the sclerotia of Aspergillus nomius
PubChem CID: 10460796
LOTUS: LTS0054554
{NPAtlas: NPA013140
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nomius | Carabidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 576.7340000000003
TPSA？: 101.09000000000002
MolLogP？: 4.430200000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|