Molecule

Colletopeptide C

AlkaPlorer ID: AK120636

Synonym: None

IUPAC Name: (3S,6R,9R,10R,12S)-6-benzyl-10-hydroxy-12-[(2S,7R)-7-hydroxyoctan-2-yl]-4,9-dimethyl-3-propan-2-yl-1-oxa-4,7-diazacyclododecane-2,5,8-trione

Structure

SMILES: CC(C)[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(O)=N[C@H](CC2=CC=CC=C2)C(=O)N1C

InChI: InChI=1S/C29H46N2O6/c1-18(2)26-29(36)37-25(19(3)12-10-11-13-20(4)32)17-24(33)21(5)27(34)30-23(28(35)31(26)6)16-22-14-8-7-9-15-22/h7-9,14-15,18-21,23-26,32-33H,10-13,16-17H2,1-6H3,(H,30,34)/t19-,20+,21+,23+,24+,25-,26-/m0/s1

InChIKey: UTXNSDOAIBMTMJ-ULSNTHSRSA-N

Reference

Colletopeptides A–D, Anti-inflammatory Cyclic Tridepsipeptides from the Plant Endophytic Fungus <i>Colletotrichum</i> sp. S8

PubChem CID: 145720959

LOTUS: LTS0074947

NPASS: NPC487267

{

NPAtlas: NPA025190

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Colletotrichum sp. S8	Colletotrichum	Glomerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 518.6950000000002

TPSA？: 119.66

MolLogP？: 3.9270000000000014

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aeromonas hydrophila	Aeromonas hydrophila	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Homo sapiens	A549	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Homo sapiens	HCT-116	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Homo sapiens	HeLa	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Homo sapiens	HepG2	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Homo sapiens	Histone deacetylase	Inhibition	nan	%	10.1021/acs.jnatprod.8b00829
Homo sapiens	MDA-MB-231	Activity	nan	None	10.1021/acs.jnatprod.8b00829
Mus musculus	NF-kappa-B inhibitor alpha	Inhibition	nan	%	10.1021/acs.jnatprod.8b00829
Mus musculus	RAW264.7	IC50	13500.0	nM	10.1021/acs.jnatprod.8b00829
Mus musculus	Transcription factor p65	Inhibition	nan	%	10.1021/acs.jnatprod.8b00829
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/acs.jnatprod.8b00829