None
AlkaPlorer ID: AK323053
Synonym: None
IUPAC Name: [(1S,2R,3S,4S,5S,7S,9S,12R,13R,14R,15R,16S,17R)-2,3,4,7-tetrahydroxy-9,11-dimethyl-15-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-16-yl] benzoate
Structure
SMILES: C=C1C[C@]23[C@H]4[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)C1=CC=CC=C1)[C@H]2[C@@]12C[C@@H](O)C[C@@](C)(CN(C)[C@H]41)[C@@]2(O)[C@@H](O)[C@@H]3O
InChI: InChI=1S/C33H41NO8/c1-6-16(2)28(38)41-22-20-17(3)12-31-21(20)25-32(24(31)23(22)42-29(39)18-10-8-7-9-11-18)14-19(35)13-30(4,15-34(25)5)33(32,40)27(37)26(31)36/h6-11,19-27,35-37,40H,3,12-15H2,1-2,4-5H3/b16-6+/t19-,20-,21-,22+,23+,24+,25+,26-,27-,30-,31-,32-,33-/m0/s1
InChIKey: CFGYXSPHUAYMLS-GTQCMWNGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anopterus glandulosus | Anopterus | Escalloniaceae | Escalloniales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 579.6900000000004
TPSA？: 136.76
MolLogP？: 1.84
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 1.0 | 10'-3 ug/ml | 10.1021/np50054a026 |
| Mus musculus | P388 | T/C | 125.0 | % | 10.1021/np50054a026 |