Actinomycin Y5
AlkaPlorer ID: AK006146
Synonym: None
IUPAC Name: (1S,20R,23S,29S,35R)-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]-11,15,23,24,27-pentamethyl-3,16,22,25,28,31,34,37-octaoxo-35-propan-2-yl-13,21-dioxa-2,6,18,24,27,33,36-heptazahexacyclo[18.17.0.04,17.05,14.07,12.029,33]heptatriaconta-4(17),5,7,9,11,14-hexaene-8-carboxamide
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=C2C2=C(NC[C@H]3OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]4CC(=O)CN4C(=O)[C@@H](C(C)C)N=C(O)[C@H]3N=C2O)C1=O
InChI: InChI=1S/C61H80N12O18/c1-24(2)40-57(84)72-21-32(74)19-34(72)56(83)68(12)22-37(76)70(14)30(10)60(87)90-36-20-62-45-39(53(80)67-44(36)55(82)64-40)46-51(29(9)49(45)78)91-50-27(7)16-17-33(43(50)63-46)52(79)66-42-31(11)89-61(88)47(26(5)6)71(15)38(77)23-69(13)59(86)48-35(75)18-28(8)73(48)58(85)41(25(3)4)65-54(42)81/h16-17,24-26,28,30-31,34-36,40-42,44,47-48,62,75H,18-23H2,1-15H3,(H,64,82)(H,65,81)(H,66,79)(H,67,80)/t28-,30-,31+,34-,35-,36+,40+,41+,42-,44-,47-,48-/m0/s1
InChIKey: AEIHQKDZICOEDE-JLBKHAGDSA-N
Reference
PubChem CID: 135931778
LOTUS: LTS0197742
SuperNatural Ⅲ: SN0003323-01
{NPAtlas: NPA004711
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1269.3769999999995
TPSA？: 397.25000000000006
MolLogP？: 1.2814400000000077
Number of H-Donors: 6
Number of H-Acceptors: 20
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|