Vitedoamine A; 9-Deoxo, 9'-oxo
AlkaPlorer ID: AK162503
Synonym: Vitedoamine B
IUPAC Name: 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dihydrobenzo[f]isoindol-1-one
Structure
SMILES: COC1=CC(C2=C3C(O)=NCC3=CC3=CC(OC)=C(O)C=C23)=CC=C1O
InChI: InChI=1S/C20H17NO5/c1-25-16-6-10(3-4-14(16)22)18-13-8-15(23)17(26-2)7-11(13)5-12-9-21-20(24)19(12)18/h3-8,22-23H,9H2,1-2H3,(H,21,24)
InChIKey: XMWQLKFMFCEWGA-UHFFFAOYSA-N
Reference
Nitric Oxide Scavenging Lignans from <i>Vitex negundo</i> Seeds
PubChem CID: 44478947
LOTUS: LTS0194260
SuperNatural Ⅲ: SN0434595
NPASS: NPC52475
COCONUT: CNP0331783
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vitex negundo | Vitex | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.358
TPSA？: 91.51
MolLogP？: 3.7534000000000014
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np900320e |
| Mus musculus | RAW264.7 | IC50 | 870.0 | nM | 10.1021/np900320e |
| Mus musculus | RAW264.7 | Inhibition | 56.18 | % | 10.1021/np900320e |