Actinomycin Y9
AlkaPlorer ID: AK030717
Synonym: None
IUPAC Name: 2-amino-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]-9-N-[(3R,6S,7R,10S,16S,19S)-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]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)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)=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/C61H82N12O17/c1-25(2)42-58(84)72-22-34(74)21-37(72)57(83)69(14)23-38(75)70(15)31(10)60(86)88-32(11)45(55(81)64-42)67-53(79)40-41(62)49(77)30(9)51-47(40)63-46-35(19-17-28(7)50(46)90-51)52(78)66-44-33(12)89-61(87)48(27(5)6)71(16)39(76)24-68(13)56(82)36-20-18-29(8)73(36)59(85)43(26(3)4)65-54(44)80/h17,19,25-27,29,31-33,36-37,42-45,48H,18,20-24,62H2,1-16H3,(H,64,81)(H,65,80)(H,66,78)(H,67,79)/t29-,31-,32+,33+,36-,37-,42+,43+,44-,45-,48-/m0/s1
InChIKey: GFBDGRVUEMCJNL-FSUOYHKDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1255.3939999999996
TPSA？: 377.05
MolLogP？: -0.3429599999999983
Number of H-Donors: 5
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 0.003 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Escherichia coli | Escherichia coli | MIC | 9.57 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | A549 | EC50 | 1.54 | nM | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | PC-3 | EC50 | 0.47 | 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 | 0.96 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 9.57 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.012 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| None | Unchecked | MIC | 9.57 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |