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Actinomycin G3

AlkaPlorer ID: AK016373

Synonym: '(-)-Actinomycin G3'

IUPAC Name: 2-amino-1-N-[(3R,6S,7S,10S,16S)-7-(hydroxymethyl)-10,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-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]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide

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=C2C(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2CO)=C(N)C1=O

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InChI: InChI=1S/C61H84N12O18/c1-25(2)41-57(84)72-20-16-17-34(72)56(83)68(12)22-37(76)70(14)31(10)60(87)90-36(24-74)45(55(82)64-41)67-53(80)39-40(62)49(78)30(9)51-46(39)63-44-33(19-18-28(7)50(44)91-51)52(79)66-43-32(11)89-61(88)47(27(5)6)71(15)38(77)23-69(13)59(86)48-35(75)21-29(8)73(48)58(85)42(26(3)4)65-54(43)81/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,74-75H,16-17,20-24,62H2,1-15H3,(H,64,82)(H,65,81)(H,66,79)(H,67,80)/t29-,31-,32+,34-,35-,36+,41+,42+,43-,45-,47-,48-/m0/s1

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InChIKey: OCVAXCIPQXUQJH-XBXFPUCHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1273.4089999999997

TPSA？: 400.44

MolLogP？: -1.5787600000000035

Number of H-Donors: 7

Number of H-Acceptors: 20

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis IZ 33.0 mm 10.1021/np060063g
Escherichia coli Escherichia coli IZ 0.0 mm 10.1021/np060063g
Staphylococcus aureus Staphylococcus aureus IZ 21.0 mm 10.1021/np060063g
None NON-PROTEIN TARGET GI50 130.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 460.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 1100.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 550.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 1600.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 7900.0 nM 10.1021/np060063g

Metabolism Information