Antalid
AlkaPlorer ID: AK288114
Synonym: None
IUPAC Name: 4-benzyl-7-(2-hydroxybutyl)-8,10-dimethyl-13-propan-2-yl-6-oxa-15-thia-3,12,17-triazabicyclo[12.2.1]heptadeca-1(16),9,14(17)-triene-2,5,11-trione
Structure
SMILES: CCC(O)CC1OC(=O)C(CC2=CC=CC=C2)N=C(O)C2=CSC(=N2)C(C(C)C)N=C(O)C(C)=CC1C
InChI: InChI=1S/C28H37N3O5S/c1-6-20(32)14-23-17(4)12-18(5)25(33)31-24(16(2)3)27-30-22(15-37-27)26(34)29-21(28(35)36-23)13-19-10-8-7-9-11-19/h7-12,15-17,20-21,23-24,32H,6,13-14H2,1-5H3,(H,29,34)(H,31,33)
InChIKey: LMWDPSXUGSTACD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polygonum | Polygonaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 527.6870000000002
TPSA？: 124.6
MolLogP？: 5.381400000000005
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|