Actinomycin Au7b
AlkaPlorer ID: AK042583
Synonym: Actinolevaline B, Actinomycin C3a
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N-[7,11,14-trimethyl-3-(2-methylpropyl)-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[7,11,14-trimethyl-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)=NC4C(O)=NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)=C3N=C2C(C(O)=NC2C(O)=NC(CC(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)=C(N)C1=O
InChI: InChI=1S/C63H88N12O16/c1-28(2)25-37-58(83)74-23-17-19-38(74)59(84)70(13)26-40(76)72(15)49(30(5)6)62(87)89-34(11)45(56(81)65-37)69-55(80)42-43(64)51(78)33(10)53-48(42)66-47-36(22-21-32(9)52(47)91-53)54(79)68-46-35(12)90-63(88)50(31(7)8)73(16)41(77)27-71(14)60(85)39-20-18-24-75(39)61(86)44(29(3)4)67-57(46)82/h21-22,28-31,34-35,37-39,44-46,49-50H,17-20,23-27,64H2,1-16H3,(H,65,81)(H,67,82)(H,68,79)(H,69,80)
InChIKey: CKFXYIRFWMZDNE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinomyces | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1269.4649999999997
TPSA？: 373.94
MolLogP？: 3.9459400000000144
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|