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Colletopeptide B

AlkaPlorer ID: AK120633

Synonym: None

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

Structure

SMILES: CC(C)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

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InChI: InChI=1S/C30H48N2O6/c1-19(2)16-25-30(37)38-27(20(3)12-10-11-13-21(4)33)18-26(34)22(5)28(35)31-24(29(36)32(25)6)17-23-14-8-7-9-15-23/h7-9,14-15,19-22,24-27,33-34H,10-13,16-18H2,1-6H3,(H,31,35)/t20-,21+,22+,24+,25-,26+,27-/m0/s1

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InChIKey: UZCOJEWMPWMEGB-QAWYXWLYSA-N

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Source

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

Properties Information

Molecule Weight: 532.7220000000001

TPSA？: 119.66

MolLogP？: 4.317100000000004

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 RAW264.7 IC50 38700.0 nM 10.1021/acs.jnatprod.8b00829
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/acs.jnatprod.8b00829

Metabolism Information