None
AlkaPlorer ID: AK323054
Synonym: None
IUPAC Name: [(1S,3S,4S,5S,7S,9S,12R,13R,14R,15R,16S,17R)-3,4,7,16-tetrahydroxy-9,11-dimethyl-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C=C1C[C@@]23C[C@H](O)[C@]4(O)[C@@]5(C)C[C@H](O)C[C@@]46[C@@H]2[C@H](O)[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]3[C@H]6N(C)C5
InChI: InChI=1S/C26H37NO6/c1-6-12(2)22(31)33-19-16-13(3)7-24-10-15(29)26(32)23(4)8-14(28)9-25(26,20(24)18(19)30)21(17(16)24)27(5)11-23/h6,14-21,28-30,32H,3,7-11H2,1-2,4-5H3/b12-6+/t14-,15-,16-,17-,18+,19+,20+,21+,23-,24-,25-,26-/m0/s1
InChIKey: ZWODYQLOXFUUJV-CWVXWTDCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anopterus glandulosus | Anopterus | Escalloniaceae | Escalloniales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 459.5830000000002
TPSA？: 110.46
MolLogP？: 1.0044999999999995
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 1.0 | ug ml-1 | 10.1021/np50054a026 |
| Mus musculus | P388 | T/C | 127.0 | % | 10.1021/np50054a026 |