None
AlkaPlorer ID: AK323052
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] (E)-4-hydroxy-2-methylbut-2-enoate
Structure
SMILES: C=C1C[C@]23[C@H]4[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/CO)[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/C31H43NO9/c1-7-14(2)26(37)40-20-18-16(4)10-29-19(18)23-30(22(29)21(20)41-27(38)15(3)8-9-33)12-17(34)11-28(5,13-32(23)6)31(30,39)25(36)24(29)35/h7-8,17-25,33-36,39H,4,9-13H2,1-3,5-6H3/b14-7+,15-8+/t17-,18-,19-,20+,21+,22+,23+,24-,25-,28-,29-,30-,31-/m0/s1
InChIKey: NWLGIMQXQKBASN-KJVJWMRUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anopterus glandulosus | Anopterus | Escalloniaceae | Escalloniales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 573.6830000000004
TPSA？: 156.98999999999998
MolLogP？: 0.464800000000001
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 5.0 | 10'-2 ug/ml | 10.1021/np50054a026 |
| Mus musculus | P388 | T/C | 120.0 | % | 10.1021/np50054a026 |