Actinomycin Y4
AlkaPlorer ID: AK003590
Synonym: 'Actinomycin Y4'
IUPAC Name: [(2R)-2-hydroxy-2-[(3R,6S,9S,15S,17R)-17-hydroxy-9,10,13-trimethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] 2-amino-9-[[(3R,6S,7R,10S,16S,17S,19S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carboxylate
Structure
SMILES: CC1=C2OC3=C(C)C=CC(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@H](C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)[C@@H](O)C[C@@H]5C)=C3N=C2C(C(=O)OC[C@H](O)[C@@H]2NC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C(C)C)NC2=O)=C(N)C1=O
InChI: InChI=1S/C61H84N12O19/c1-24(2)41-57(85)72-20-32(74)19-34(72)56(84)68(12)21-37(77)70(14)30(10)52(80)67-45(55(83)64-41)36(76)23-90-60(88)39-40(62)49(79)29(9)51-46(39)63-44-33(17-16-27(7)50(44)92-51)53(81)66-43-31(11)91-61(89)47(26(5)6)71(15)38(78)22-69(13)59(87)48-35(75)18-28(8)73(48)58(86)42(25(3)4)65-54(43)82/h16-17,24-26,28,30-32,34-36,41-43,45,47-48,74-76H,18-23,62H2,1-15H3,(H,64,83)(H,65,82)(H,66,81)(H,67,80)/t28-,30-,31+,32+,34-,35-,36-,41+,42+,43-,45-,47-,48-/m0/s1
InChIKey: ALFZBUIMXFZLFM-BUNJDHHUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 1289.408
TPSA？: 420.67
MolLogP？: -2.6079600000000056
Number of H-Donors: 8
Number of H-Acceptors: 21
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 9.32 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Escherichia coli | Escherichia coli | MIC | 9.32 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Micrococcus luteus | Micrococcus luteus | MIC | 4.66 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Mycolicibacterium aurum | Mycolicibacterium aurum | MIC | 9.32 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 9.32 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 9.32 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| None | Unchecked | MIC | 9.32 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |