melicodenine E
AlkaPlorer ID: AK178601
Synonym: None
IUPAC Name: (11S,12R,13S,14S)-12-(6-methoxy-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=CC3=C(C=C2OC)OCO3)[C@@H]2C3=C(OC(C)(C)[C@H]12)C1=CC=CC=C1N(C)C3=O
InChI: InChI=1S/C27H29NO6/c1-27(2)24-16(12-30-4)21(15-10-19-20(33-13-32-19)11-18(15)31-5)22(24)23-25(34-27)14-8-6-7-9-17(14)28(3)26(23)29/h6-11,16,21-22,24H,12-13H2,1-5H3/t16-,21-,22+,24+/m0/s1
InChIKey: XMMPZNVQEFTBLQ-GNYVGCIUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope denhamii | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 463.5300000000002
TPSA？: 68.15
MolLogP？: 4.2066000000000034
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|