None
AlkaPlorer ID: AK324105
Synonym: None
IUPAC Name: (4S)-4-[[2-[[2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-1,5-dihydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-5-iminopentylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-2-methylpropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-1-hydroxy-2-methylpropylidene]amino]-5-[(2S)-1,5-dihydroxy-1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]imino-5-iminopentan-2-yl]imino-5-hydroxypentanoic acid
Structure
SMILES: CC(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(O)=NC(C)(C)C(O)=N[C@H](C(O)=NC(C)(C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](CO)CC1=CC=CC=C1)C(C)C)C(C)C
InChI: InChI=1S/C90H148N22O25/c1-45(2)41-57(71(126)108-90(25,26)82(137)112-40-30-33-58(112)72(127)102-63(46(3)4)73(128)110-89(23,24)81(136)111-88(21,22)79(134)101-55(36-39-62(118)119)69(124)100-54(34-37-59(91)115)68(123)97-53(44-113)42-52-31-28-27-29-32-52)98-61(117)43-93-75(130)83(11,12)109-74(129)64(47(5)6)103-80(135)87(19,20)107-70(125)56(35-38-60(92)116)99-65(120)48(7)94-77(132)85(15,16)105-67(122)50(9)96-78(133)86(17,18)106-66(121)49(8)95-76(131)84(13,14)104-51(10)114/h27-29,31-32,45-50,53-58,63-64,113H,30,33-44H2,1-26H3,(H2,91,115)(H2,92,116)(H,93,130)(H,94,132)(H,95,131)(H,96,133)(H,97,123)(H,98,117)(H,99,120)(H,100,124)(H,101,134)(H,102,127)(H,103,135)(H,104,114)(H,105,122)(H,106,121)(H,107,125)(H,108,126)(H,109,129)(H,110,128)(H,111,136)(H,118,119)/t48-,49-,50-,53-,54-,55-,56-,57-,58-,63-,64-/m0/s1
InChIKey: GCQLGPVQNVMFBI-WVFQXUQHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma longibrachiatum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1938.303
TPSA？: 785.2100000000004
MolLogP？: 13.234139999999991
Number of H-Donors: 25
Number of H-Acceptors: 24
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acholeplasma laidlawii | Acholeplasma laidlawii | MIC | 1560.0 | nM | 10.1021/np000240s |
| Acholeplasma laidlawii | Acholeplasma laidlawii | MLC | 3.12 | uM | 10.1021/np000240s |
| Mycoplasma mycoides subsp. mycoides SC | Mycoplasma mycoides subsp. mycoides SC | MIC | 12500.0 | nM | 10.1021/np000240s |
| Mycoplasma mycoides subsp. mycoides SC | Mycoplasma mycoides subsp. mycoides SC | MLC | 3.12 | uM | 10.1021/np000240s |
| Mycoplasmoides gallisepticum | Mycoplasmoides gallisepticum | MIC | 6250.0 | nM | 10.1021/np000240s |
| Mycoplasmoides gallisepticum | Mycoplasmoides gallisepticum | MLC | 3.12 | uM | 10.1021/np000240s |
| Spiroplasma apis | Spiroplasma apis | MIC | 12500.0 | nM | 10.1021/np000240s |
| Spiroplasma apis | Spiroplasma apis | MLC | 3.12 | uM | 10.1021/np000240s |
| Spiroplasma citri | Spiroplasma citri | MIC | 6250.0 | nM | 10.1021/np000240s |
| Spiroplasma citri | Spiroplasma citri | MLC | 3.12 | uM | 10.1021/np000240s |
| Spiroplasma floricola | Spiroplasma floricola | MIC | 12500.0 | nM | 10.1021/np000240s |
| Spiroplasma floricola | Spiroplasma floricola | MLC | 3.12 | uM | 10.1021/np000240s |
| None | No relevant target | Ratio | 1.2 | None | 10.1021/np000240s |