Melearoride B
AlkaPlorer ID: AK103695
Synonym: None
IUPAC Name: (3S,10R,13S)-3-[[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]methyl]-13-[(2S)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione
Structure
SMILES: CCC[C@H](O)C[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](CC2=CC=C(OCC(O)C(C)(C)O)C=C2)C(=O)O1
InChI: InChI=1S/C30H49NO7/c1-6-9-23(32)19-25-15-12-21(2)10-7-8-11-28(34)31(5)26(29(35)38-25)18-22-13-16-24(17-14-22)37-20-27(33)30(3,4)36/h13-14,16-17,21,23,25-27,32-33,36H,6-12,15,18-20H2,1-5H3/t21-,23+,25+,26+,27?/m1/s1
InChIKey: NQXOQGLCLMWMTQ-JNNGLPOXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium meleagrinum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 535.7220000000002
TPSA？: 116.53000000000002
MolLogP？: 4.019900000000003
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 0.5 | 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 | 0.016 | None | 10.1021/acs.jnatprod.6b00019 |