Rocagloic acid; Amide
AlkaPlorer ID: AK312582
Synonym: N,N-Didemethylrocaglamide
IUPAC Name: 1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Structure
SMILES: COC1=CC=C(C23OC4=CC(OC)=CC(OC)=C4C2(O)C(O)C(C(=N)O)C3C2=CC=CC=C2)C=C1
InChI: InChI=1S/C27H27NO7/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(28)30)24(29)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,29,31H,1-3H3,(H2,28,30)
InChIKey: RMNPQEWLGQURNX-UHFFFAOYSA-N
Reference
New nitrogenous and aromatic derivatives from Aglaia argentea and A. forbesii
PubChem CID: 78180418
CAS: 177262-30-5
LOTUS: LTS0052922
COCONUT: CNP0367518.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia elliptica | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aglaia argentea | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 477.5130000000001
TPSA？: 121.46000000000002
MolLogP？: 3.497670000000001
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|