Cephalandole C
AlkaPlorer ID: AK050942
Synonym: '(+)-Cephalandole C'
IUPAC Name: methyl 2-[[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-2-carbonyl]amino]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=CC=CC=C2N1
InChI: InChI=1S/C23H24N2O9/c1-32-22(31)12-7-3-5-9-14(12)25-21(30)16-20(11-6-2-4-8-13(11)24-16)34-23-19(29)18(28)17(27)15(10-26)33-23/h2-9,15,17-19,23-24,26-29H,10H2,1H3,(H,25,30)/t15-,17-,18+,19-,23+/m1/s1
InChIKey: XUNXQNZGEZHUEQ-QLNQBVQISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strobilanthes cusia | Strobilanthes | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 472.4500000000001
TPSA？: 170.57
MolLogP？: 0.3854999999999994
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np5003274 |