Actinomycin Y4
AlkaPlorer ID: AK283204
Synonym: None
IUPAC Name: [2-hydroxy-2-(17-hydroxy-9,10,13-trimethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl)ethyl] 2-amino-9-[[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]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carboxylate
Structure
SMILES: CC1=C2OC3=C(C)C=CC(C(O)=NC4C(O)=NC(C(C)C)C(=O)N5C(C)CC(O)C5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)=C3N=C2C(C(=O)OCC(O)C2N=C(O)C(C)N(C)C(=O)CN(C)C(=O)C3CC(O)CN3C(=O)C(C(C)C)N=C2O)=C(N)C1=O
InChI: InChI=1S/C61H84N12O19/c1-24(2)41-57(85)72-20-32(74)19-34(72)56(84)68(12)21-37(77)70(14)30(10)52(80)67-45(55(83)64-41)36(76)23-90-60(88)39-40(62)49(79)29(9)51-46(39)63-44-33(17-16-27(7)50(44)92-51)53(81)66-43-31(11)91-61(89)47(26(5)6)71(15)38(78)22-69(13)59(87)48-35(75)18-28(8)73(48)58(86)42(25(3)4)65-54(43)82/h16-17,24-26,28,30-32,34-36,41-43,45,47-48,74-76H,18-23,62H2,1-15H3,(H,64,83)(H,65,82)(H,66,81)(H,67,80)
InChIKey: ALFZBUIMXFZLFM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1289.408
TPSA？: 434.63000000000005
MolLogP？: 0.4877400000000079
Number of H-Donors: 8
Number of H-Acceptors: 21
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|