UNPD182449
AlkaPlorer ID: AK325261
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(O)C1=CC(=CC=[N+]2C3=CC([O-])=C(O[C@H]4O[C@@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]4O)C=C3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1
InChI: InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17+,18+,19-,20+,24+/m1/s1
InChIKey: OZXPZOHWSFDUDY-ZAFSWVMGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium nutans | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phthorimaea operculella | Phthorimaea | Gelechiidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Stachys mucronata | Stachys | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Canis lupus | Canis | Canidae | Carnivora | Mammalia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 630.5370000000003
TPSA？: 292.74999999999994
MolLogP？: -3.168499999999992
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|