(1R,5S,6R,7R,8S,18R)-6-hydroxy-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadec-12-ene-3,9-dione
AlkaPlorer ID: AK268108
Synonym: None
IUPAC Name: (1R,5S,6R,7R,8S,18R)-6-hydroxy-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione
Structure
SMILES: C[C@@H]1[C@@H](O)[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@H]34
InChI: InChI=1S/C18H25NO6/c1-10-15(21)17(2)8-13(20)24-12-5-7-19-6-4-11(14(12)19)9-23-16(22)18(10,3)25-17/h4,10,12,14-15,21H,5-9H2,1-3H3/t10-,12-,14-,15-,17+,18+/m1/s1
InChIKey: KQMXUQMWADZGBV-OTVVXEJNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio roseus | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.3990000000001
TPSA？: 85.3
MolLogP？: 0.4039999999999999
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LC50 | 300.0 | ug.mL-1 | 10.1021/np9702289 |
| Aspergillus niger | Aspergillus niger | Activity | nan | None | 10.1021/np9702289 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np9702289 |
| Trichoderma viride | Trichoderma viride | Activity | nan | None | 10.1021/np9702289 |