Actinomycin D; 4,6-Bis(demethyl)
AlkaPlorer ID: AK283183
Synonym: 4,6-Didemethylactinomycin D
IUPAC Name: 2-amino-3-oxo-1-N,9-N-bis[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: CC(C)C1N=C(O)C(N=C(O)C2=C(N)C(=O)C=C3OC4=C(N=C32)C(C(O)=NC2C(O)=NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)=CC=C4)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O
InChI: InChI=1S/C60H82N12O16/c1-27(2)43-57(82)71-22-16-19-34(71)55(80)67(11)25-39(74)69(13)49(29(5)6)59(84)86-31(9)45(53(78)63-43)65-51(76)33-18-15-21-37-47(33)62-48-38(88-37)24-36(73)42(61)41(48)52(77)66-46-32(10)87-60(85)50(30(7)8)70(14)40(75)26-68(12)56(81)35-20-17-23-72(35)58(83)44(28(3)4)64-54(46)79/h15,18,21,24,27-32,34-35,43-46,49-50H,16-17,19-20,22-23,25-26,61H2,1-14H3,(H,63,78)(H,64,79)(H,65,76)(H,66,77)
InChIKey: BJNGYUHUODGWMK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces parvulus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1227.3839999999996
TPSA？: 373.94
MolLogP？: 2.9390000000000134
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|