Thalifaronine
AlkaPlorer ID: AK013835
Synonym: ''
IUPAC Name: (6aS)-8-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@H](CC1=CC=C(OC3=C4C[C@H]5C6=C(C4=CC(OC)=C3OC)C(OC)=C(OC)C=C6CCN5C)C=C1)N(C)CC2
InChI: InChI=1S/C40H46N2O7/c1-41-15-13-24-18-32(43-3)33(44-4)21-27(24)30(41)17-23-9-11-26(12-10-23)49-38-29-20-31-36-25(14-16-42(31)2)19-34(45-5)39(47-7)37(36)28(29)22-35(46-6)40(38)48-8/h9-12,18-19,21-22,30-31H,13-17,20H2,1-8H3/t30-,31-/m0/s1
InChIKey: QFVABPQXILXPJL-CONSDPRKSA-N
Reference
Thalifaberidine, a Cytotoxic Aporphine-Benzylisoquinoline Alkaloid from Thalictrum faberi
PubChem CID: 10055201
LOTUS: LTS0010245
SuperNatural Ⅲ: SN0304231-02
NPASS: NPC112248
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum cultratum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 666.8149999999999
TPSA？: 71.09
MolLogP？: 7.054300000000009
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 1440.0 | nM | 10.1021/acs.jnatprod.7b00387 |
| Homo sapiens | PC-3 | IC50 | 2720.0 | nM | 10.1021/acs.jnatprod.7b00387 |