13-ethoxy-6,7-dimethoxy-1,9,12-triazatetracyclo[6.5.2.0?,¹?.0¹¹,¹?]pentadeca-2,4,6,8,10,12,14-heptaen-10-ol
AlkaPlorer ID: AK122874
Synonym: None
IUPAC Name: 13-ethoxy-6,7-dimethoxy-1,9,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-2,4,6,8(15),11(14),12-hexaen-10-one
Structure
SMILES: CCOC1=NC2=C(O)N=C3C(OC)=C(OC)C=C4C=CN1C2=C43
InChI: InChI=1S/C16H15N3O4/c1-4-23-16-18-12-13-10-8(5-6-19(13)16)7-9(21-2)14(22-3)11(10)17-15(12)20/h5-7H,4H2,1-3H3,(H,17,20)
InChIKey: CZGQSPWCVXLDCM-UHFFFAOYSA-N
Reference
Novel taxanes from the needles of Taxus canadensis
PubChem CID: 118714354
COCONUT: CNP0079009
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 313.31300000000005
TPSA？: 78.11
MolLogP？: 2.5950000000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | HT-29 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | K562 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | MCF7 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| None | NON-PROTEIN TARGET | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |