Actinomycin Y8
AlkaPlorer ID: AK021934
Synonym: None
IUPAC Name: 2-amino-9-N-[(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]-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,10,11,14-tetramethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
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)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)=C(N)C1=O
InChI: InChI=1S/C61H82N12O18/c1-24(2)41-57(84)72-21-33(74)20-35(72)56(83)68(13)22-37(76)70(15)30(10)60(87)89-31(11)44(55(82)64-41)67-53(80)39-40(62)49(78)29(9)51-46(39)63-45-34(18-17-27(7)50(45)91-51)52(79)66-43-32(12)90-61(88)47(26(5)6)71(16)38(77)23-69(14)59(86)48-36(75)19-28(8)73(48)58(85)42(25(3)4)65-54(43)81/h17-18,24-26,28,30-32,35-36,41-44,47-48,75H,19-23,62H2,1-16H3,(H,64,82)(H,65,81)(H,66,79)(H,67,80)/t28-,30-,31+,32+,35-,36-,41+,42+,43-,44-,47-,48-/m0/s1
InChIKey: XATRISMANZEMDH-GIYVJPTOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1271.3929999999996
TPSA？: 397.28
MolLogP？: -1.3721600000000014
Number of H-Donors: 6
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 0.012 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Escherichia coli | Escherichia coli | MIC | 9.45 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | A549 | EC50 | 7.67 | nM | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | PC-3 | EC50 | 2.77 | nM | 10.1021/acs.jnatprod.6b00742 |
| Micrococcus luteus | Micrococcus luteus | MIC | 0.003 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Mycolicibacterium aurum | Mycolicibacterium aurum | MIC | 0.95 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 9.45 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.031 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| None | Unchecked | MIC | 9.45 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |