Actinomycin E1
AlkaPlorer ID: AK083540
Synonym: Actinomycin Aux-1
IUPAC Name: 2-amino-9-N-(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-1-N-[3,10-di(butan-2-yl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
Structure
SMILES: CCC(C)C1NC(=O)C(NC(=O)C2=C3N=C4C(=C(C)C(=O)C(N)=C4C(=O)NC4C(=O)NC(C(C)CC)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)CC)C(=O)OC4C)OC3=C(C)C=C2)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O
InChI: InChI=1S/C65H92N12O16/c1-17-31(6)45-62(87)76-26-20-22-39(76)60(85)72(13)28-41(78)74(15)51(30(4)5)64(89)91-36(11)47(58(83)68-45)70-56(81)38-25-24-34(9)54-49(38)67-50-43(44(66)53(80)35(10)55(50)93-54)57(82)71-48-37(12)92-65(90)52(33(8)19-3)75(16)42(79)29-73(14)61(86)40-23-21-27-77(40)63(88)46(32(7)18-2)69-59(48)84/h24-25,30-33,36-37,39-40,45-48,51-52H,17-23,26-29,66H2,1-16H3,(H,68,83)(H,69,84)(H,70,81)(H,71,82)
InChIKey: UARCAKAUVSFPRE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces antibioticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1297.518999999999
TPSA？: 359.98
MolLogP？: 1.8959400000000084
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|