None

AlkaPlorer ID: AK322882

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CCCCN)C(=N)O)[C@@H](C)CC

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InChI: InChI=1S/C78H143N23O18S2/c1-13-45(7)62(100-61(104)38-83)78(119)94-55(28-34-121-12)71(112)98-60(41-103)76(117)99-59(40-102)75(116)96-57(36-44(5)6)73(114)93-54(27-33-120-11)70(111)92-52(25-17-21-31-81)67(108)91-53(26-18-22-32-82)69(110)95-56(35-43(3)4)72(113)87-47(9)66(107)90-51(24-16-20-30-80)68(109)97-58(37-49-39-85-42-86-49)74(115)101-63(46(8)14-2)77(118)88-48(10)65(106)89-50(64(84)105)23-15-19-29-79/h39,42-48,50-60,62-63,102-103H,13-38,40-41,79-83H2,1-12H3,(H2,84,105)(H,85,86)(H,87,113)(H,88,118)(H,89,106)(H,90,107)(H,91,108)(H,92,111)(H,93,114)(H,94,119)(H,95,110)(H,96,116)(H,97,109)(H,98,112)(H,99,117)(H,100,104)(H,101,115)/t45-,46-,47-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1

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InChIKey: FRDKZOJHGWLWDX-HMUKDCGDSA-N

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Reference

PubChem CID: 155539684

NPASS: NPC479550

Source

Species Genus Family Order Class Phylum Kingdom Domain
Hylaeus signatus Hylaeus Colletidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 1755.2789999999998

TPSA: 732.1700000000002

MolLogP: 8.553669999999993

Number of H-Donors: 25

Number of H-Acceptors: 26

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis MIC 7000.0 nM 10.1021/acs.jnatprod.5b01129
Candida albicans Candida albicans MIC 14000.0 nM 10.1021/acs.jnatprod.5b01129
Escherichia coli Escherichia coli MIC 15000.0 nM 10.1021/acs.jnatprod.5b01129
Micrococcus luteus Micrococcus luteus MIC 3000.0 nM 10.1021/acs.jnatprod.5b01129
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 0.25 None 10.1021/acs.jnatprod.5b01129
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 0.54 None 10.1021/acs.jnatprod.5b01129
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 7900.0 nM 10.1021/acs.jnatprod.5b01129
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20000.0 nM 10.1021/acs.jnatprod.5b01129
Staphylococcus aureus Staphylococcus aureus FICI 0.31 None 10.1021/acs.jnatprod.5b01129
Staphylococcus aureus Staphylococcus aureus MIC 35000.0 nM 10.1021/acs.jnatprod.5b01129
Staphylococcus aureus Staphylococcus aureus MIC 63000.0 nM 10.1021/acs.jnatprod.5b01129
Staphylococcus epidermidis Staphylococcus epidermidis MIC 6200.0 nM 10.1021/acs.jnatprod.5b01129
None Erythrocyte LC50 400000.0 nM 10.1021/acs.jnatprod.5b01129

Metabolism Information