| Phytochemical Name : Taspine |
| PCNDIDT0013 |
| Pubchem CID : 215159 |
| Molecular formula: C20H19NO6 |
| Canonical SMILES : CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC |
Synonymes : Taspine|602-07-3|Thaspine|1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione|UNII-V53XN9L07O|CHEMBL470867|V53XN9L07O|NSC-688259|5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione|Taspin|1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno(5,4,3-cde)chromene-5,10-dione hydrochloride|(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(2-(dimethylamino)ethyl)-3,8-dimethoxy-|NSC76022|NSC-76022|NSC618155|D0L0ZH|SCHEMBL22452213|DTXSID60975624|BDBM50241808|NSC688259|1-[2-(Dimethylamino)ethyl]-3,8-dimethoxy-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione|2-dimethylaminoethyl(dimethoxy)[?]dione|NCI60_031857|NCI60_041671|HY-131502|FT-0674816|Q5486808|{1-(2-dimethylaminoethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione} |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.100 |
| Log Po/w (XLOGP3) : 2.770 |
| Log Po/w (WLOGP) : 2.610 |
| Log Po/w (MLOGP) : 1.840 |
| Log Po/w (SILICOS-IT) : 4.120 |
| Consensus Log Po/w : 2.890 |