melicodenine C
AlkaPlorer ID: AK178596
Synonym: None
IUPAC Name: (11S,12R,13S,14S)-12-(1,3-benzodioxol-5-yl)-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=C3OCOC3=C2)[C@@H]2C3=C(OC(C)(C)[C@H]12)C1=CC=CC=C1N(C)C3=O
InChI: InChI=1S/C26H27NO5/c1-26(2)23-16(12-29-4)20(14-9-10-18-19(11-14)31-13-30-18)21(23)22-24(32-26)15-7-5-6-8-17(15)27(3)25(22)28/h5-11,16,20-21,23H,12-13H2,1-4H3/t16-,20-,21+,23+/m0/s1
InChIKey: IJWSKYUDLJGSAA-WWTKIRLPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope denhamii | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 433.5040000000002
TPSA？: 58.92
MolLogP？: 4.198000000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|