Melearoride A
AlkaPlorer ID: AK103690
Synonym: None
IUPAC Name: (3S,10R,13R)-4,10-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione
Structure
SMILES: CCCCC[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](CC2=CC=C(OCC=C(C)C)C=C2)C(=O)O1
InChI: InChI=1S/C30H47NO4/c1-6-7-8-12-27-17-14-24(4)11-9-10-13-29(32)31(5)28(30(33)35-27)22-25-15-18-26(19-16-25)34-21-20-23(2)3/h15-16,18-20,24,27-28H,6-14,17,21-22H2,1-5H3/t24-,27-,28+/m1/s1
InChIKey: IJMPIKIOJQQJCA-RTVRTQBESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium meleagrinum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 485.7090000000002
TPSA？: 55.84
MolLogP？: 6.883500000000008
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00019 |
| Candida albicans | Candida albicans | MIC | 32.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00019 |
| Candida albicans | Candida albicans | Ratio | 0.031 | None | 10.1021/acs.jnatprod.6b00019 |