(Z)-5-(2'-(3'-(E-methylbutenyl)thienylmethylidene))-1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-chromeno[3,4-f]-quinoline
AlkaPlorer ID: AK351226
Synonym: None
IUPAC Name: (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-pent-2-en-2-yl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
Structure
SMILES: CC/C=C(\C)C1=C(/C=C2\OC3=CC=C(O)C(OC)=C3C3=CC=C4NC(C)(C)C=C(C)C4=C23)SC=C1
InChI: InChI=1S/C30H31NO3S/c1-7-8-17(2)19-13-14-35-25(19)15-24-27-20(28-23(34-24)12-11-22(32)29(28)33-6)9-10-21-26(27)18(3)16-30(4,5)31-21/h8-16,31-32H,7H2,1-6H3/b17-8+,24-15-
InChIKey: CAVTYMQSFAIXRJ-AKXZRBJUSA-N
Reference
Chemical Constituents of the Roots of Piper Sarmentosum
PubChem CID: 17758236
LOTUS: LTS0229677
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper sarmentosum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 485.6490000000002
TPSA？: 50.72
MolLogP？: 8.440500000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Androgen Receptor | Ki | 346.0 | nM | 10.1021/jm070370z |
| Homo sapiens | Glucocorticoid receptor | EC50 | 0.5 | nM | 10.1021/jm070370z |
| Homo sapiens | Glucocorticoid receptor | Efficacy | 20.0 | % | 10.1021/jm070370z |
| Homo sapiens | Glucocorticoid receptor | Efficacy | 91.0 | % | 10.1021/jm070370z |
| Homo sapiens | Glucocorticoid receptor | IC50 | 6.1 | nM | 10.1021/jm070370z |
| Homo sapiens | Glucocorticoid receptor | Ki | 4.4 | nM | 10.1021/jm070370z |
| Homo sapiens | Mineralocorticoid receptor | Ki | 42.0 | nM | 10.1021/jm070370z |
| Homo sapiens | Progesterone receptor | Ki | 57.0 | nM | 10.1021/jm070370z |
| Homo sapiens | RPMI-8226 | Efficacy | 94.0 | % | 10.1021/jm070370z |
| Homo sapiens | RPMI-8226 | IC50 | 22.0 | nM | 10.1021/jm070370z |