Actinomycin C(sub1)
AlkaPlorer ID: AK006890
Synonym: None
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7S,10S,16S)-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: C[C@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C
InChI: InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1
InChIKey: RJURFGZVJUQBHK-GIUPLMLQSA-N
Reference
Synthesis and Antimicrobial Characterization of Half-Calycanthaceous Alkaloid Derivatives
PubChem CID: 44415057
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 1255.4379999999985
TPSA？: 359.9799999999999
MolLogP？: 0.7256400000000024
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 | 0.9506 | nM | None |
| Homo sapiens | A498 | GI50 | 2.992 | nM | None |
| Homo sapiens | A549 | GI50 | 2.065 | nM | None |
| Homo sapiens | ACHN | GI50 | 3.707 | nM | None |
| Homo sapiens | BT-549 | GI50 | 1.69 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 4.842 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 0.863 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 1.057 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 3.837 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 2.951 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 0.3105 | nM | None |
| Homo sapiens | DU-145 | GI50 | 3.926 | nM | None |
| Homo sapiens | EKVX | GI50 | 11.97 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 2.748 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 0.3319 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 20.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 2.312 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 6.109 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 2.173 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 3.141 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 1.871 | nM | None |
| Homo sapiens | HT-29 | GI50 | 0.7586 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 2.168 | nM | None |
| Homo sapiens | K562 | GI50 | 0.492 | nM | None |
| Homo sapiens | KM12 | GI50 | 1.285 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 2.917 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 0.5176 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 1.016 | nM | None |
| Homo sapiens | M14 | GI50 | 5.284 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 1.549 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 1.186 | nM | None |
| Homo sapiens | MCF7 | GI50 | 0.1888 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 4.55 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 0.871 | nM | None |
| Homo sapiens | MDA-N | GI50 | 0.631 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 0.4797 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 97.95 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 1.954 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 2.193 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 2.208 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 0.4236 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 0.5058 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 3.614 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 5.834 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 6.109 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 1.648 | nM | None |
| Homo sapiens | PC-3 | GI50 | 1.337 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 0.6095 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 2.582 | nM | None |
| Homo sapiens | RXF 631 | GI50 | 5.649 | nM | None |
| Homo sapiens | SF-268 | GI50 | 1.483 | nM | None |
| Homo sapiens | SF-295 | GI50 | 2.032 | nM | None |
| Homo sapiens | SF-539 | GI50 | 0.8995 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 1.062 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 1.39 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 1.151 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 8.69 | nM | None |
| Homo sapiens | SN12C | GI50 | 1.849 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 0.3365 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 1.611 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 2.296 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 2.704 | nM | None |
| Homo sapiens | SR | GI50 | 0.3105 | nM | None |
| Homo sapiens | SW-620 | GI50 | 0.4887 | nM | None |
| Homo sapiens | T47D | GI50 | 0.6281 | nM | None |
| Homo sapiens | TK-10 | GI50 | 14.89 | nM | None |
| Homo sapiens | U-251 | GI50 | 0.6109 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 2.553 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 0.9354 | nM | None |
| Homo sapiens | UO-31 | GI50 | 15.0 | nM | None |
| Homo sapiens | XF498 | GI50 | 0.8974 | nM | None |
| Mus musculus | P388 | GI50 | 0.25 | nM | None |
| Mus musculus | P388/ADR | GI50 | 4.416 | nM | None |