None
AlkaPlorer ID: AK322885
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](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](C)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)[C@@H](C)CC
InChI: InChI=1S/C78H142N22O17S2/c1-16-44(8)61(98-60(102)38-82)77(116)93-55(29-34-119-15)71(110)99-63(46(10)18-3)78(117)97-59(40-101)75(114)96-57(36-43(6)7)73(112)92-54(28-33-118-14)70(109)91-52(26-20-23-31-80)68(107)90-53(27-21-24-32-81)69(108)95-56(35-42(4)5)72(111)87-47(11)65(104)86-48(12)67(106)94-58(37-50-39-84-41-85-50)74(113)100-62(45(9)17-2)76(115)88-49(13)66(105)89-51(64(83)103)25-19-22-30-79/h39,41-49,51-59,61-63,101H,16-38,40,79-82H2,1-15H3,(H2,83,103)(H,84,85)(H,86,104)(H,87,111)(H,88,115)(H,89,105)(H,90,107)(H,91,109)(H,92,112)(H,93,116)(H,94,106)(H,95,108)(H,96,114)(H,97,117)(H,98,102)(H,99,110)(H,100,113)/t44-,45-,46-,47-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-/m0/s1
InChIKey: SPWOFGGXOGGJGT-OQKBMBDASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hylaeus signatus | Hylaeus | Colletidae | Hymenoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1724.2649999999992
TPSA？: 685.9200000000002
MolLogP？: 10.498369999999996
Number of H-Donors: 23
Number of H-Acceptors: 24
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 | 12000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Escherichia coli | Escherichia coli | MIC | 12000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Micrococcus luteus | Micrococcus luteus | MIC | 3000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 47000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 35000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 43000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 65000.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 8800.0 | nM | 10.1021/acs.jnatprod.5b01129 |
| None | Erythrocyte | LC50 | 320000.0 | nM | 10.1021/acs.jnatprod.5b01129 |