None
AlkaPlorer ID: AK323309
Synonym: None
IUPAC Name: 1,3-bis[(5R,6S,7R,8aS)-6-hydroxy-7-methyl-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-5-yl]propan-2-one
Structure
SMILES: C[C@@H]1C[C@@H]2CCCN2[C@H](CC(=O)C[C@H]2N3CCC[C@H]3C[C@@H](C)[C@]2(O)C2=CC=CC=C2)[C@@]1(O)C1=CC=CC=C1
InChI: InChI=1S/C33H44N2O3/c1-23-19-27-15-9-17-34(27)30(32(23,37)25-11-5-3-6-12-25)21-29(36)22-31-33(38,26-13-7-4-8-14-26)24(2)20-28-16-10-18-35(28)31/h3-8,11-14,23-24,27-28,30-31,37-38H,9-10,15-22H2,1-2H3/t23-,24-,27+,28+,30-,31-,32+,33+/m1/s1
InChIKey: JPVGVKCBHJUCQQ-MACGHIFPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrobium crepidatum | Dendrobium | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 516.7260000000002
TPSA？: 64.01
MolLogP？: 4.856900000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | IC50 | 22800.0 | nM | 10.1021/acs.jnatprod.5b00801 |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/acs.jnatprod.5b00801 |