(19R)-19-ethyl-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: AK036317
Synonym: None
IUPAC Name: (19R)-19-ethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Structure
SMILES: CC[C@H]1C(=O)OCC2=C1C=C1C3=NC4=CC=CC=C4C=C3CN1C2=O
InChI: InChI=1S/C20H16N2O3/c1-2-13-14-8-17-18-12(7-11-5-3-4-6-16(11)21-18)9-22(17)19(23)15(14)10-25-20(13)24/h3-8,13H,2,9-10H2,1H3/t13-/m1/s1
InChIKey: PEZXVOHRDBYBFR-CYBMUJFWSA-N
Reference
Minor alkaloids of Camptotheca acuminata
PubChem CID: 169724
CAS: 35903-41-4
LOTUS: LTS0153204
SuperNatural Ⅲ: SN0283631-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Camptotheca acuminata | Camptotheca | Nyssaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 332.3590000000001
TPSA？: 61.19
MolLogP？: 2.975600000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA topoisomerase I | CC50 | nan | nM | 10.1021/jm00123a038 |
| Homo sapiens | DNA topoisomerase I | Inhibition | nan | % | 10.1021/jm9605445 |
| Mus musculus | L1210 | IC50 | 590.0 | nM | 10.1021/jm00123a038 |