Desmethyl Rocaglamide
AlkaPlorer ID: AK100829
Synonym: None
IUPAC Name: (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N-methyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Structure
SMILES: CN=C(O)[C@H]1[C@@H](O)[C@@]2(O)C3=C(OC)C=C(OC)C=C3O[C@@]2(C2=CC=C(OC)C=C2)[C@@H]1C1=CC=CC=C1
InChI: InChI=1S/C28H29NO7/c1-29-26(31)22-23(16-8-6-5-7-9-16)28(17-10-12-18(33-2)13-11-17)27(32,25(22)30)24-20(35-4)14-19(34-3)15-21(24)36-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m1/s1
InChIKey: UUOCVXYUMKAOKK-GWNOIRNCSA-N
Reference
New insecticidal rocaglamide derivatives from flowers of Aglaia duperreana (Meliaceae)
PubChem CID: 9826915
LOTUS: LTS0107059
SuperNatural Ⅲ: SN0380520-03
NPASS: NPC87363
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.5400000000002
TPSA？: 109.97000000000004
MolLogP？: 3.548700000000002
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria citri | Alternaria citri | EC50 | nan | None | 10.1021/jf990509h |
| Alternaria citri | Alternaria citri | EC90 | nan | None | 10.1021/jf990509h |
| Alternaria citri | Alternaria citri | MIC | nan | None | 10.1021/jf990509h |
| Fusarium avenaceum | Fusarium avenaceum | EC50 | nan | None | 10.1021/jf990509h |
| Fusarium avenaceum | Fusarium avenaceum | EC90 | nan | None | 10.1021/jf990509h |
| Fusarium avenaceum | Fusarium avenaceum | MIC | nan | None | 10.1021/jf990509h |
| Pyricularia grisea | Pyricularia grisea | EC50 | 7.0 | ug.mL-1 | 10.1021/jf990509h |
| Pyricularia grisea | Pyricularia grisea | EC90 | 146.0 | ug ml-1 | 10.1021/jf990509h |
| Pyricularia grisea | Pyricularia grisea | MIC | 100.0 | ug.mL-1 | 10.1021/jf990509h |