None
AlkaPlorer ID: AK323892
Synonym: None
IUPAC Name: None
Structure
SMILES: CSCC[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CSSC[C@@H](C(O)=N[C@@H](CO)C(=O)O)N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)[C@H](CCCCN)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CSSC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C)N)C(O)=N2)N=C(O)[C@H](C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C92H143N23O21S5/c1-48(2)40-59-79(123)110-71(50(5)6)87(131)101-58(33-39-137-11)88(132)113-36-21-31-68(113)85(129)112-72(51(7)8)90(134)115-38-23-32-69(115)89(133)114-37-22-30-67(114)84(128)104-60(41-54-24-14-12-15-25-54)77(121)98-53(10)74(118)106-66-47-141-140-46-65(107-76(120)57(99-73(117)52(9)94)29-20-35-97-92(95)96)82(126)109-63(80(124)102-59)44-138-139-45-64(81(125)105-62(43-116)91(135)136)108-78(122)61(42-55-26-16-13-17-27-55)103-75(119)56(28-18-19-34-93)100-86(130)70(49(3)4)111-83(66)127/h12-17,24-27,48-53,56-72,116H,18-23,28-47,93-94H2,1-11H3,(H,98,121)(H,99,117)(H,100,130)(H,101,131)(H,102,124)(H,103,119)(H,104,128)(H,105,125)(H,106,118)(H,107,120)(H,108,122)(H,109,126)(H,110,123)(H,111,127)(H,112,129)(H,135,136)(H4,95,96,97)/t52-,53-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
InChIKey: WHRQRIQOJKHFMX-VLYLUYETSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ricinus communis | Ricinus | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 2067.6310000000008
TPSA？: 721.2500000000003
MolLogP？: 9.714769999999996
Number of H-Donors: 22
Number of H-Acceptors: 28
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | EC50 | 160000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| Candida albicans | Candida albicans | EC50 | 160000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| Erwinia amylovora | Erwinia amylovora | EC50 | 160000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| Escherichia coli | Escherichia coli | EC50 | 160000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| Homo sapiens | Serum | Stability | 95.0 | % | 10.1021/acs.jnatprod.5b00463 |
| Pectobacterium carotovorum | Pectobacterium carotovorum | EC50 | 160000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | EC50 | 27000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| Staphylococcus aureus | Staphylococcus aureus | EC50 | 160000.0 | nM | 10.1021/acs.jnatprod.5b00463 |
| None | ADMET | Activity | nan | None | 10.1021/acs.jnatprod.5b00463 |