(2E)-1-{13-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,?.0?,²?.0¹?,¹?]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl}but-2-en-1-one
AlkaPlorer ID: AK027425
Synonym: None
IUPAC Name: 1-[(12R,13R)-13-hydroxy-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]but-2-en-1-one
Structure
SMILES: CC=CC(=O)N1CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2[C@@H](O)[C@@H]31
InChI: InChI=1S/C21H19NO4/c1-2-5-16(23)22-9-8-12-10-15-21(26-11-25-15)18-13-6-3-4-7-14(13)20(24)19(22)17(12)18/h2-7,10,19-20,24H,8-9,11H2,1H3/t19-,20-/m1/s1
InChIKey: LGMGIUVWEZJWJS-WOJBJXKFSA-N
Reference
Aporphine alkaloids and cytotoxic lignans from the roots of Illigera luzonensis
PubChem CID: 162910420
LOTUS: LTS0119436
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Illigera luzonensis | Illigera | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.386
TPSA？: 59.0
MolLogP？: 3.1312000000000024
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|