1-{13-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,?.0?,²?.0¹?,¹?]icosa-1,6,8(20),14,16,18-hexaen-11-yl}ethan-1-one
AlkaPlorer ID: AK040528
Synonym: None
IUPAC Name: 1-[(12S,13R)-13-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]ethanone
Structure
SMILES: CO[C@@H]1C2=CC=CC=C2C2=C3OCOC3=CC3=C2[C@@H]1N(C(C)=O)CC3
InChI: InChI=1S/C20H19NO4/c1-11(22)21-8-7-12-9-15-20(25-10-24-15)17-13-5-3-4-6-14(13)19(23-2)18(21)16(12)17/h3-6,9,18-19H,7-8,10H2,1-2H3/t18-,19+/m0/s1
InChIKey: PKXUOMMMJICCQJ-RBUKOAKNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Duguetia confinis | Duguetia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.3750000000001
TPSA？: 48.0
MolLogP？: 3.2291000000000016
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|