Munronin D
AlkaPlorer ID: AK078564
Synonym: None
IUPAC Name: [(1R,3S,5R,7R,8R,9R,10R,15R)-15-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-8,15-dimethyl-2-methylidene-12-oxo-7-(5-oxo-1,2-dihydropyrrol-4-yl)-4,11-dioxatetracyclo[8.5.0.03,5.03,8]pentadec-13-en-9-yl] acetate
Structure
SMILES: C=C1[C@@H]2[C@@H](OC(=O)C=C[C@@]2(C)[C@H]2CC(=O)OC2(C)C)[C@H](OC(C)=O)[C@@]2(C)[C@H](C3=CCN=C3O)C[C@H]3O[C@]132
InChI: InChI=1S/C28H33NO8/c1-13-21-22(35-19(31)7-9-26(21,5)17-12-20(32)37-25(17,3)4)23(34-14(2)30)27(6)16(11-18-28(13,27)36-18)15-8-10-29-24(15)33/h7-9,16-18,21-23H,1,10-12H2,2-6H3,(H,29,33)/t16-,17-,18+,21+,22+,23-,26-,27+,28+/m0/s1
InChIKey: FSPDOKDIFCCWRB-LELWZTHMSA-N
Reference
Bioactive Limonoid Constituents of <i>Munronia henryi</i>
PubChem CID: 10885724
LOTUS: LTS0153961
SuperNatural Ⅲ: SN0094470-01
NPASS: NPC246209
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Comactinia meridionalis | Comactinia | Comatulidae | Comatulida | Crinoidea | Echinodermata | Metazoa | Eukaryota |
| Limonia acidissima | Limonia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 511.5710000000003
TPSA？: 124.02
MolLogP？: 2.9940000000000007
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np501057f |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np501057f |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/np501057f |
| Homo sapiens | SMMC-7721 | IC50 | 10000.0 | nM | 10.1021/np501057f |
| Homo sapiens | SW480 | IC50 | 10000.0 | nM | 10.1021/np501057f |
| Pieris brassicae | Pieris brassicae | AFI | 28.0 | % | 10.1016/S0040-4020(03)00573-8 |
| Pieris brassicae | Pieris brassicae | mortality | 10.0 | % | 10.1016/S0040-4020(03)00573-8 |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 29.1 | % | 10.1021/np501057f |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 42.5 | % | 10.1021/np501057f |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 45.4 | % | 10.1021/np501057f |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 49.3 | % | 10.1021/np501057f |