PF1163A
AlkaPlorer ID: AK032156
Synonym: None
IUPAC Name: (3S,10R,13S)-3-[[4-(2-hydroxyethoxy)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(OCCO)C=C2)C(=O)O1
InChI: InChI=1S/C27H43NO6/c1-4-7-22(30)19-24-13-10-20(2)8-5-6-9-26(31)28(3)25(27(32)34-24)18-21-11-14-23(15-12-21)33-17-16-29/h11-12,14-15,20,22,24-25,29-30H,4-10,13,16-19H2,1-3H3/t20-,22+,24+,25+/m1/s1
InChIKey: SDBGPLZSWIQIOV-VQPAQMSKSA-N
Reference
PubChem CID: 489139
LOTUS: LTS0128105
SuperNatural Ⅲ: SN0342188-01
NPASS: NPC175981
{NPAtlas: NPA006391
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium meleagrinum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.6420000000002
TPSA？: 96.3
MolLogP？: 3.8804000000000034
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 0.0078 | ug.mL-1 | 10.1021/acs.jnatprod.6b00019 |
| Candida albicans | Candida albicans | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.6b00019 |
| Candida albicans | Candida albicans | Ratio | 0.0078 | None | 10.1021/acs.jnatprod.6b00019 |