7-O-Ethyl fangchinoline
AlkaPlorer ID: AK000145
Synonym: None
IUPAC Name: (1S,14S)-21-ethoxy-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Structure
SMILES: CCOC1=C(C=C2CCN([C@@H]3C2=C1OC4=C(C=C5CCN([C@H](C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)C)OC)C)OC
InChI: InChI=1S/C39H44N2O6/c1-7-45-38-36(44-6)22-27-15-17-41(3)31-19-25-10-13-32(42-4)34(20-25)46-28-11-8-24(9-12-28)18-30-29-23-35(47-39(38)37(27)31)33(43-5)21-26(29)14-16-40(30)2/h8-13,20-23,30-31H,7,14-19H2,1-6H3/t30-,31-/m0/s1
InChIKey: VNBSKOLSTYLJBG-CONSDPRKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stephania tetrandra | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 636.7890000000002
TPSA？: 61.860000000000014
MolLogP？: 7.552500000000009
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 5520.0 | nM | 10.1016/j.bmcl.2016.12.029 |
| Homo sapiens | MCF7 | IC50 | 8550.0 | nM | 10.1016/j.bmcl.2016.12.029 |