Rocagloic acid; 1-Ac, 4-hydroxybutylamide
AlkaPlorer ID: AK312580
Synonym: None
IUPAC Name: [8b-hydroxy-2-(4-hydroxybutylcarbamoyl)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
Structure
SMILES: COC1=CC=C(C23OC4=CC(OC)=CC(OC)=C4C2(O)C(OC(C)=O)C(C(O)=NCCCCO)C3C2=CC=CC=C2)C=C1
InChI: InChI=1S/C33H37NO9/c1-20(36)42-30-27(31(37)34-16-8-9-17-35)28(21-10-6-5-7-11-21)33(22-12-14-23(39-2)15-13-22)32(30,38)29-25(41-4)18-24(40-3)19-26(29)43-33/h5-7,10-15,18-19,27-28,30,35,38H,8-9,16-17H2,1-4H3,(H,34,37)
InChIKey: DGATUVHVVGFTOX-UHFFFAOYSA-N
Reference
Insecticidal rocaglamide derivatives from Aglaia elliptica and A. harmsiana
PubChem CID: 85056956
LOTUS: LTS0271207
COCONUT: CNP0230535.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia elliptica | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 591.6570000000004
TPSA？: 136.27
MolLogP？: 4.262200000000003
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|