None
AlkaPlorer ID: AK323313
Synonym: None
IUPAC Name: (1S,4S,8R,12R)-10-hydroxy-12-methyl-9-propan-2-yl-6-azatricyclo[6.4.0.04,12]dodec-9-ene-7,11-dione
Structure
SMILES: CC(C)C1=C(O)C(=O)[C@@]2(C)[C@@H]3CC[C@H]2[C@H]1C(O)=NC3
InChI: InChI=1S/C15H21NO3/c1-7(2)10-11-9-5-4-8(6-16-14(11)19)15(9,3)13(18)12(10)17/h7-9,11,17H,4-6H2,1-3H3,(H,16,19)/t8-,9+,11-,15+/m1/s1
InChIKey: ZOGLKBWNIXZXLL-KWCXZLOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrobium findlayanum | Dendrobium | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 263.337
TPSA？: 69.89
MolLogP？: 2.6560000000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b00150 |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b00150 |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b00150 |
| Homo sapiens | SMMC-7721 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b00150 |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b00150 |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/acs.jnatprod.7b00150 |