Actinomycin Zp
AlkaPlorer ID: AK021988
Synonym: None
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(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)N3[C@@H](C)CC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)=C(N)C1=O
InChI: InChI=1S/C64H90N12O16/c1-27(2)44-61(86)75-32(10)20-23-38(75)59(84)71(15)25-40(77)73(17)50(29(5)6)63(88)90-35(13)46(57(82)67-44)69-55(80)37-22-19-31(9)53-48(37)66-49-42(43(65)52(79)34(12)54(49)92-53)56(81)70-47-36(14)91-64(89)51(30(7)8)74(18)41(78)26-72(16)60(85)39-24-21-33(11)76(39)62(87)45(28(3)4)68-58(47)83/h19,22,27-30,32-33,35-36,38-39,44-47,50-51H,20-21,23-26,65H2,1-18H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t32-,33-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1
InChIKey: ITWSHIDIEVXQRA-BSBLWUGNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1283.4919999999993
TPSA？: 373.94
MolLogP？: 4.332840000000015
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 0.006 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Escherichia coli | Escherichia coli | MIC | 9.36 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | A549 | EC50 | 0.74 | nM | 10.1021/acs.jnatprod.6b00742 |
| Homo sapiens | PC-3 | EC50 | 0.16 | nM | 10.1021/acs.jnatprod.6b00742 |
| Micrococcus luteus | Micrococcus luteus | MIC | 0.006 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Mycolicibacterium aurum | Mycolicibacterium aurum | MIC | 0.94 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 9.36 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.047 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |
| None | Unchecked | MIC | 9.36 | ug.mL-1 | 10.1021/acs.jnatprod.6b00742 |