Molecule

None

AlkaPlorer ID: AK323462

Synonym: None

IUPAC Name: (1R,5R,14S,17S,18S)-10-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-17-methyl-9,12-dioxo-15-oxapentacyclo[12.6.0.01,6.02,18.08,13]icosa-8(13),10-diene-5-carboxylic acid

Structure

SMILES: CC(O)=N[C@@H](CSC1=CC(=O)C2=C(CC3[C@H](C(=O)O)CCC4[C@@H]5CC[C@]34[C@@H]2OC[C@H]5C)C1=O)C(=O)O

InChI: InChI=1S/C26H31NO8S/c1-11-9-35-23-21-15(7-17-14(24(31)32)3-4-16-13(11)5-6-26(16,17)23)22(30)20(8-19(21)29)36-10-18(25(33)34)27-12(2)28/h8,11,13-14,16-18,23H,3-7,9-10H2,1-2H3,(H,27,28)(H,31,32)(H,33,34)/t11-,13-,14-,16?,17?,18+,23-,26-/m1/s1

InChIKey: CELGBPNSVHKPLO-FRRCERCKSA-N

Reference

PubChem CID: 145953866

NPASS: NPC482917

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hohenbuehelia grisea	Hohenbuehelia	Pleurotaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 517.6000000000005

TPSA？: 150.56

MolLogP？: 3.0435000000000008

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Candida albicans	Candida albicans	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Micrococcus luteus	Micrococcus luteus	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Mucor hiemalis	Mucor hiemalis	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Mucor plumbeus	Mucor plumbeus	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Rhodotorula glutinis	Rhodotorula glutinis	MIC	33.3	ug.mL-1	10.1021/acs.jnatprod.7b00713
Schizosaccharomyces pombe	Schizosaccharomyces pombe	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/acs.jnatprod.7b00713
Wickerhamomyces anomalus	Wickerhamomyces anomalus	MIC	66.7	ug.mL-1	10.1021/acs.jnatprod.7b00713
Yamadazyma tenuis	Yamadazyma tenuis	MIC	100.0	ug.mL-1	10.1021/acs.jnatprod.7b00713