Grandirubrine
AlkaPlorer ID: AK184365
Synonym: ''
IUPAC Name: 5-hydroxy-14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
Structure
SMILES: COC1=C(OC)C2=C3C(=NC=CC3=C1OC)C1=CC(=O)C(O)=CC=C12
InChI: InChI=1S/C19H15NO5/c1-23-17-10-6-7-20-16-11-8-13(22)12(21)5-4-9(11)15(14(10)16)18(24-2)19(17)25-3/h4-8H,1-3H3,(H,21,22)
InChIKey: SKNSHDGCCINVFT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Abuta grandifolia | Abuta | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.331
TPSA？: 77.88
MolLogP？: 2.9738000000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | IC50 | 0.18 | ug.mL-1 | 10.1016/0960-894X(95)00068-5 |