Molecule

PF1163B

AlkaPlorer ID: AK032168

Synonym: None

IUPAC Name: (3S,10R,13R)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-4,10-dimethyl-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(OCCO)C=C2)C(=O)O1

InChI: InChI=1S/C27H43NO5/c1-4-5-6-10-24-15-12-21(2)9-7-8-11-26(30)28(3)25(27(31)33-24)20-22-13-16-23(17-14-22)32-19-18-29/h13-14,16-17,21,24-25,29H,4-12,15,18-20H2,1-3H3/t21-,24-,25+/m1/s1

InChIKey: PCRJJAXIHTZHNU-SDUSCBPUSA-N

Reference

PF1163A and B, New Antifungal Antibiotics Produced by Penicillium sp. I. Taxonomy of Producing Strain, Fermentation, Isolation and Biological Activities.

PubChem CID: 489140

LOTUS: LTS0057110

SuperNatural Ⅲ: SN0281826-01

NPASS: NPC145163

{

NPAtlas: NPA006039

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: 461.6430000000002

TPSA？: 76.07000000000001

MolLogP？: 4.9096000000000055

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	MIC	0.0016	ug.mL-1	10.1021/acs.jnatprod.6b00019
Candida albicans	Candida albicans	MIC	2.0	ug.mL-1	10.1021/acs.jnatprod.6b00019
Candida albicans	Candida albicans	Ratio	0.00078	None	10.1021/acs.jnatprod.6b00019