Actinomycin Y7
AlkaPlorer ID: AK072850
Synonym: None
IUPAC Name: 2-amino-1-N-[(3R,6S,7S,10S,16S)-7-(hydroxymethyl)-10,11,14-trimethyl-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,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-oxophenoxazine-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]2CO)=C(N)C1=O
InChI: InChI=1S/C61H82N12O19/c1-24(2)41-57(85)72-20-32(75)19-34(72)56(84)68(12)21-37(77)70(14)30(10)60(88)91-36(23-74)45(55(83)64-41)67-53(81)39-40(62)49(79)29(9)51-46(39)63-44-33(17-16-27(7)50(44)92-51)52(80)66-43-31(11)90-61(89)47(26(5)6)71(15)38(78)22-69(13)59(87)48-35(76)18-28(8)73(48)58(86)42(25(3)4)65-54(43)82/h16-17,24-26,28,30-31,34-36,41-43,45,47-48,74,76H,18-23,62H2,1-15H3,(H,64,83)(H,65,82)(H,66,80)(H,67,81)/t28-,30-,31+,34-,35-,36+,41+,42+,43-,45-,47-,48-/m0/s1
InChIKey: VWLIXTRHLNPDGZ-JIAPYOCPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1287.3919999999998
TPSA？: 417.51
MolLogP？: -2.399760000000007
Number of H-Donors: 7
Number of H-Acceptors: 21
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 0.12 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Escherichia coli | Escherichia coli | MIC | 9.33 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | A549 | EC50 | 119.3 | nM | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | PC-3 | EC50 | 51.18 | nM | 10.1021/acs.jnatprod.6b00742 |
| Micrococcus luteus | Micrococcus luteus | MIC | 0.12 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Mycolicibacterium aurum | Mycolicibacterium aurum | MIC | 0.93 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 9.33 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.47 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| None | Unchecked | MIC | 9.33 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |