1-{7-methoxy-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}ethan-1-one
AlkaPlorer ID: AK027073
Synonym: None
IUPAC Name: 1-[(12R)-7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-11-yl]ethanone
Structure
SMILES: COC1=C2CCN(C(C)=O)[C@@H]3CC4=CC=CC=C4C(=C23)C2=C1OCO2
InChI: InChI=1S/C20H19NO4/c1-11(22)21-8-7-14-16-15(21)9-12-5-3-4-6-13(12)17(16)19-20(18(14)23-2)25-10-24-19/h3-6,15H,7-10H2,1-2H3/t15-/m1/s1
InChIKey: VLRJLXGQZGIYLP-OAHLLOKOSA-N
Reference
The Alkaloids of <i>Artabotrys </i><i>u</i><i>ncinatus</i>
PubChem CID: 44567167
LOTUS: LTS0142814
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Magnolia kachirachirai | Magnolia | Magnoliaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.37500000000017
TPSA？: 48.0
MolLogP？: 3.0927000000000016
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 9.8 | ug.mL-1 | 10.1021/np010036k |
| Homo sapiens | Thrombin | Activity | nan | None | 10.1021/np010036k |
| None | NON-PROTEIN TARGET | IC50 | 9.3 | ug.mL-1 | 10.1021/np010036k |