(19S)-19-ethyl-6,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
AlkaPlorer ID: AK439629
Synonym: None
IUPAC Name: 19-ethyl-6,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Structure
SMILES: CCC1(O)C(=O)OCC2=C1C=C1C3=NC4=CC(O)=CC=C4C=C3CN1C2=O
InChI: InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-3-4-12(23)6-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
InChIKey: KXJNTORVTHBKGW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Camptotheca acuminata | Camptotheca | Nyssaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 364.35700000000014
TPSA？: 101.65
MolLogP？: 1.7851999999999992
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L1210 | Active dose range | 60.0 | mg kg-1 | 10.1021/jm00393a016 |
| Mus musculus | L1210 | Toxic dose | 60.0 | mg kg-1 | 10.1021/jm00393a016 |
| Mus musculus | Mus musculus | No. of cures | 3.0 | None | 10.1021/jm00393a016 |
| Mus musculus | Mus musculus | T/C | 5.68 | % | 10.1021/jm00393a016 |
| Mus musculus | Mus musculus | T/C | 357.0 | % | 10.1021/jm00393a016 |
| Mus musculus | P338 | Active dose range | 7.5 | mg kg-1 | 10.1021/jm00161a035 |
| Mus musculus | P338 | No. of cures | 3.0 | None | 10.1021/jm00161a035 |
| Mus musculus | P338 | T/C | 5.68 | % | 10.1021/jm00161a035 |
| Mus musculus | P338 | T/C | 357.0 | % | 10.1021/jm00161a035 |
| Mus musculus | P338 | Toxic dose | 60.0 | mg kg-1 | 10.1021/jm00161a035 |
| None | ADMET | ED50 | 0.02 | ug ml-1 | 10.1021/jm00393a016 |