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Actinomycin C3 

AlkaPlorer ID: AK011437

Synonym: Actinomycin VII, Actinomycin Au1, Actinomycin I3, Auranthin A 

IUPAC Name: 2-amino-1-N,9-N-bis(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-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: CCC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(C)=C3OC4=C(C)C=CC(C(=O)NC5C(=O)NC(C(C)CC)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC5C)=C4N=C32)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O

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InChI: InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)

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InChIKey: XLGPRYUFOGVPMM-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 1283.4919999999993

TPSA？: 359.98

MolLogP？: 1.505840000000006

Number of H-Donors: 5

Number of H-Acceptors: 18

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 0.1945 nM None
Homo sapiens A498 GI50 10.16 nM None
Homo sapiens A549 GI50 0.7534 nM None
Homo sapiens ACHN GI50 1.618 nM None
Homo sapiens BT-549 GI50 10.52 nM None
Homo sapiens CAKI-1 GI50 5.902 nM None
Homo sapiens CCRF-CEM GI50 0.1 nM None
Homo sapiens COLO 205 GI50 0.1 nM None
Homo sapiens DU-145 GI50 10.99 nM None
Homo sapiens EKVX GI50 14.49 nM None
Homo sapiens Growth factor receptor-bound protein 2 IC50 7600.0 nM 10.1016/s0960-894x(98)00345-x
Homo sapiens HCC 2998 GI50 12.97 nM None
Homo sapiens HCT-116 GI50 0.1 nM None
Homo sapiens HCT-15 GI50 17.18 nM None
Homo sapiens HL-60 GI50 0.1 nM None
Homo sapiens HOP-62 GI50 0.1 nM None
Homo sapiens HOP-92 GI50 2.547 nM None
Homo sapiens Hs-578T GI50 6.501 nM None
Homo sapiens HT-29 GI50 0.1 nM None
Homo sapiens IGROV-1 GI50 0.1 nM None
Homo sapiens K562 GI50 0.1 nM None
Homo sapiens KM12 GI50 1.069 nM None
Homo sapiens LOX IMVI GI50 0.1 nM None
Homo sapiens M14 GI50 9.954 nM None
Homo sapiens Malme-3M GI50 0.1563 nM None
Homo sapiens MCF7 GI50 0.1 nM None
Homo sapiens MDA-MB-231 GI50 5.61 nM None
Homo sapiens MDA-MB-435 GI50 0.5395 nM None
Homo sapiens MDA-N GI50 10.0 nM None
Homo sapiens MOLT-4 GI50 0.1 nM None
Homo sapiens NCI/ADR-RES GI50 296.48 nM None
Homo sapiens NCI-H226 GI50 0.8892 nM None
Homo sapiens NCI-H23 GI50 1.327 nM None
Homo sapiens NCI-H322M GI50 1.714 nM None
Homo sapiens NCI-H460 GI50 0.1 nM None
Homo sapiens NCI-H522 GI50 0.1 nM None
Homo sapiens OVCAR-3 GI50 1.837 nM None
Homo sapiens OVCAR-4 GI50 6.252 nM None
Homo sapiens OVCAR-5 GI50 4.592 nM None
Homo sapiens OVCAR-8 GI50 0.2624 nM None
Homo sapiens PC-3 GI50 0.8954 nM None
Homo sapiens RPMI-8226 GI50 0.1435 nM None
Homo sapiens RXF 393 GI50 3.936 nM None
Homo sapiens SF-268 GI50 3.221 nM None
Homo sapiens SF-295 GI50 0.4775 nM None
Homo sapiens SF-539 GI50 0.1 nM None
Homo sapiens SK-MEL-2 GI50 1.009 nM None
Homo sapiens SK-MEL-28 GI50 0.1096 nM None
Homo sapiens SK-MEL-5 GI50 0.1982 nM None
Homo sapiens SK-OV-3 GI50 20.84 nM None
Homo sapiens SN12C GI50 0.2818 nM None
Homo sapiens SNB-19 GI50 0.1 nM None
Homo sapiens SNB-75 GI50 3.192 nM None
Homo sapiens SR GI50 0.1 nM None
Homo sapiens SW-620 GI50 0.236 nM None
Homo sapiens T47D GI50 1.73 nM None
Homo sapiens TK-10 GI50 14.72 nM None
Homo sapiens U-251 GI50 0.1 nM None
Homo sapiens UACC-257 GI50 0.1 nM None
Homo sapiens UACC-62 GI50 0.1687 nM None
Homo sapiens UO-31 GI50 20.42 nM None

Metabolism Information