Actinomycin Y2
AlkaPlorer ID: AK001279
Synonym: None
IUPAC Name: 2-amino-1-N-[(3R,6S,7S,10S,16S)-7-(chloromethyl)-18-hydroxy-10,11,14-trimethyl-2,5,9,12,15-pentaoxo-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]2CCl)=C(N)C1=O
InChI: InChI=1S/C61H83ClN12O18/c1-24(2)41-57(85)73-21-32(75)19-34(73)56(84)69(12)22-37(77)71(14)30(10)60(88)91-36(20-62)45(55(83)65-41)68-53(81)39-40(63)49(79)29(9)51-46(39)64-44-33(17-16-27(7)50(44)92-51)52(80)67-43-31(11)90-61(89)47(26(5)6)72(15)38(78)23-70(13)59(87)48-35(76)18-28(8)74(48)58(86)42(25(3)4)66-54(43)82/h16-17,24-26,28,30-32,34-36,41-43,45,47-48,75-76H,18-23,63H2,1-15H3,(H,65,83)(H,66,82)(H,67,80)(H,68,81)/t28-,30-,31+,32?,34-,35-,36+,41+,42+,43-,45-,47-,48-/m0/s1
InChIKey: QKJGGXMLLMNPEE-FYXQKJMOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1307.8539999999998
TPSA？: 414.4
MolLogP？: 1.46874000000001
Number of H-Donors: 7
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|