melicodenine D
AlkaPlorer ID: AK178597
Synonym: None
IUPAC Name: (11R,12S,13R,14R)-12-(3,4-dimethoxyphenyl)-13-(methoxymethyl)-8,15,15-trimethyl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
Structure
SMILES: COC[C@@H]1[C@@H](C2=CC=C(OC)C(OC)=C2)[C@H]2C3=C(OC(C)(C)[C@@H]12)C1=CC=CC=C1N(C)C3=O
InChI: InChI=1S/C27H31NO5/c1-27(2)24-17(14-30-4)21(15-11-12-19(31-5)20(13-15)32-6)22(24)23-25(33-27)16-9-7-8-10-18(16)28(3)26(23)29/h7-13,17,21-22,24H,14H2,1-6H3/t17-,21-,22+,24+/m1/s1
InChIKey: KNXDILKOIQXPQV-INYSMAPRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope denhamii | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5470000000002
TPSA？: 58.92
MolLogP？: 4.486500000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | Activity | nan | None | 10.1021/jm401321v |
| Homo sapiens | PBMC | Inhibition | 30.0 | % | 10.1021/jm401321v |