None
AlkaPlorer ID: AK323312
Synonym: None
IUPAC Name: (1S,4S,8R,12R)-10-hydroxy-6,12-dimethyl-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)N(C)C3
InChI: InChI=1S/C16H23NO3/c1-8(2)11-12-10-6-5-9(7-17(4)15(12)20)16(10,3)14(19)13(11)18/h8-10,12,18H,5-7H2,1-4H3/t9-,10+,12-,16+/m1/s1
InChIKey: UTTGDVFATKYRHF-HDINQQKLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrobium findlayanum | Dendrobium | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 277.36400000000003
TPSA？: 57.61
MolLogP？: 2.1579
Number of H-Donors: 1
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 |