Vitedoamine A
AlkaPlorer ID: AK028164
Synonym: None
IUPAC Name: 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2-dihydrobenzo[f]isoindol-3-one
Structure
SMILES: COC1=CC(C2=C3CN=C(O)C3=CC3=CC(OC)=C(O)C=C23)=CC=C1O
InChI: InChI=1S/C20H17NO5/c1-25-17-6-10(3-4-15(17)22)19-12-8-16(23)18(26-2)7-11(12)5-13-14(19)9-21-20(13)24/h3-8,22-23H,9H2,1-2H3,(H,21,24)
InChIKey: QVAJYPUWQBUWLN-UHFFFAOYSA-N
Reference
Lignan Derivatives and a Norditerpene from the Seeds of <i>Vitex negundo</i>
PubChem CID: 11348702
CAS: 819861-41-1
LOTUS: LTS0232133
SuperNatural Ⅲ: SN0315969
NPASS: NPC18614
COCONUT: CNP0288408
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vitex negundo | Vitex | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.35800000000006
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 | 1530.0 | nM | 10.1021/np900320e |
| Mus musculus | RAW264.7 | Inhibition | 43.31 | % | 10.1021/np900320e |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np040102t |
| None | Radical scavenging activity | Activity | nan | None | 10.1021/np040102t |