Actinomycin G3; 41β-Deoxy, 43β-oxo 

AlkaPlorer ID: AK283198

Synonym: Actinomycin Y8 

IUPAC Name: None

Structure

SMILES: CC1=C2OC3=C(C)C=CC(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCC(O)C5C(=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)N3CC(=O)CC3(C)C(=O)N(C)CC(=O)N(C)C(C)C(=O)OC2C)=C(N)C1=O

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InChI: InChI=1S/C61H82N12O18/c1-25(2)40-55(83)72-20-19-35(75)47(72)57(85)68(13)23-37(77)71(16)46(27(5)6)59(87)90-32(11)42(53(81)64-40)66-51(79)34-18-17-28(7)49-44(34)63-45-38(39(62)48(78)29(8)50(45)91-49)52(80)67-43-31(10)89-58(86)30(9)70(15)36(76)24-69(14)60(88)61(12)21-33(74)22-73(61)56(84)41(26(3)4)65-54(43)82/h17-18,25-27,30-32,35,40-43,46-47,75H,19-24,62H2,1-16H3,(H,64,81)(H,65,82)(H,66,79)(H,67,80)

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InChIKey: ITMVTTWVUVGUHZ-UHFFFAOYSA-N

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Reference

CAS: 2042658-96-6

Source

Properties Information

Molecule Weight: 1271.3929999999991

TPSA: 397.28

MolLogP: -1.3705600000000042

Number of H-Donors: 6

Number of H-Acceptors: 20

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information