C-demethylactinomycin
AlkaPlorer ID: AK038480
Synonym: 'C-Demethylactinomycin'
IUPAC Name: 2-amino-4-methyl-3-oxo-1-N-[7,11,14-trimethyl-2,5,9,12,15,19-hexaoxo-3,10-di(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=CC=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(C(C)C)C(=O)N3C(=O)CCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)=C(N)C1=O
InChI: InChI=1S/C61H82N12O17/c1-26(2)42-58(84)72-23-17-19-34(72)56(82)68(12)24-38(75)70(14)48(28(5)6)60(86)88-31(10)44(54(80)64-42)66-52(78)33-18-16-20-36-46(33)63-47-40(41(62)50(77)30(9)51(47)90-36)53(79)67-45-32(11)89-61(87)49(29(7)8)71(15)39(76)25-69(13)57(83)35-21-22-37(74)73(35)59(85)43(27(3)4)65-55(45)81/h16,18,20,26-29,31-32,34-35,42-45,48-49H,17,19,21-25,62H2,1-15H3,(H,64,80)(H,65,81)(H,66,78)(H,67,79)
InChIKey: JTLIZMDDLQWFFV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces parvulus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1255.393999999999
TPSA？: 391.00999999999993
MolLogP？: 2.774020000000013
Number of H-Donors: 5
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|