Grandilodine A
AlkaPlorer ID: AK051318
Synonym: None
IUPAC Name: trimethyl (1R,9S,16R,18R)-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7-triene-2,9,18-tricarboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@]23CCCN2CC[C@]2(C(=O)OC)C4=CC=CC=C4N(C(=O)OC)[C@]12CC3
InChI: InChI=1S/C24H30N2O6/c1-30-19(27)17-15-22-9-6-13-25(22)14-12-23(20(28)31-2)16-7-4-5-8-18(16)26(21(29)32-3)24(17,23)11-10-22/h4-5,7-8,17H,6,9-15H2,1-3H3/t17-,22+,23+,24+/m0/s1
InChIKey: ROIFAUMINZFUQR-QKBJRNKPSA-N
Reference
Grandilodines A−C, Biologically Active Indole Alkaloids from <i>Kopsia grandifolia</i>
PubChem CID: 53262731
LOTUS: LTS0101952
NPASS: NPC201424
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia grandifolia | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 442.5120000000002
TPSA？: 85.38000000000001
MolLogP？: 2.6340000000000003
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB/VJ300 | IC50 | 4.35 | ug.mL-1 | 10.1021/np200008g |