None
AlkaPlorer ID: AK324695
Synonym: None
IUPAC Name: 2-[2-[[(1R,4S,5R,8S,10S)-4,8-dihydroxy-9,9-dimethyl-7-oxo-2,6,11-trioxatricyclo[6.3.0.01,5]undecan-10-yl]methyl]-1H-indol-3-yl]ethyl-hydroxy-dimethylazanium
Structure
SMILES: CC1(C)[C@H](CC2=C(CC[N+](C)(C)O)C3=CC=CC=C3N2)O[C@]23OC[C@H](O)[C@H]2OC(=O)[C@]13O
InChI: InChI=1S/C23H31N2O7/c1-21(2)18(32-23-19(17(26)12-30-23)31-20(27)22(21,23)28)11-16-14(9-10-25(3,4)29)13-7-5-6-8-15(13)24-16/h5-8,17-19,24,26,28-29H,9-12H2,1-4H3/q+1/t17-,18-,19+,22-,23+/m0/s1
InChIKey: DECWHHPWGAGJTL-KMMOIWBLSA-N
Reference
PubChem CID: 145946287
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flindersia pimenteliana | Flindersia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 447.50800000000027
TPSA？: 121.24000000000002
MolLogP？: 0.8874000000000002
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 80.0 | nM | 10.1016/j.ejmech.2021.113400 |