None
AlkaPlorer ID: AK323050
Synonym: None
IUPAC Name: [(1S,3S,4S,5S,7S,9S,12R,13R,14R,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-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](OC(=O)/C(C)=C/C)[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]3[C@H]6N(C)C5
InChI: InChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20-,21-,22+,23+,24+,25+,28-,29-,30-,31-/m0/s1
InChIKey: PISLVTVZMHAKFK-LHBKFWKVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anopterus glandulosus | Anopterus | Escalloniaceae | Escalloniales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 541.6850000000002
TPSA？: 116.53000000000002
MolLogP？: 2.5216000000000003
Number of H-Donors: 3
Number of H-Acceptors: 8
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 | 122.0 | % | 10.1021/np50054a026 |