Rocagloic acid; Dimethylamide
AlkaPlorer ID: AK312583
Synonym: Rocaglamide, Rocaglamide A
IUPAC Name: 1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-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(=O)N(C)C)C3C2=CC=CC=C2)C=C1
InChI: InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3
InChIKey: DAPAQENNNINUPW-UHFFFAOYSA-N
Reference
Cytotoxic Cyclopenta[<i>b</i>]benzofuran Derivatives from the Stem Bark of <i>Aglaia formosana</i>
PubChem CID: 494234
CAS: 84573-16-0
LOTUS: LTS0166748
COCONUT: CNP0160037.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaia elliptifolia | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aglaia odorata | Aglaia | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 505.5670000000002
TPSA？: 97.69
MolLogP？: 3.050600000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|