(3S,6R,9S,12S,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
AlkaPlorer ID: AK502146
Synonym: None
IUPAC Name: (14Z)-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Structure
SMILES: C/C1=C/C(C)CC(C)OC(=O)C(C)N=C(O)C(CC2=CC=C(O)C(I)=C2)N(C)C(=O)C(C)N=C(O)C(C)C1
InChI: InChI=1S/C28H40IN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10-
InChIKey: QMYRWKWZINECMT-GDNBJRDFSA-N
Reference
Cytoskeleton alterations induced by Geodia corticostylifera depsipeptides in breast cancer cells
PubChem CID: 5469060
LOTUS: LTS0106418
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geodia corticostylifera | Geodia | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 641.547
TPSA？: 132.02
MolLogP？: 5.000300000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 10.0 | nM | None |
| Homo sapiens | A498 | GI50 | 10.0 | nM | None |
| Homo sapiens | A549 | GI50 | 10.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 10.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 10.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 10.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 10.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 10.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 30.2 | nM | None |
| Homo sapiens | EKVX | GI50 | 26.24 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 10.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 10.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 16.44 | nM | None |
| Homo sapiens | HL-60 | GI50 | 10.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 10.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 13.43 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 10.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 10.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 10.0 | nM | None |
| Homo sapiens | K562 | GI50 | 10.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 10.0 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 10.0 | nM | None |
| Homo sapiens | M14 | GI50 | 15.03 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 24.21 | nM | None |
| Homo sapiens | MCF7 | GI50 | 37.15 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 10.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 10.0 | nM | None |
| Homo sapiens | MDA-N | GI50 | 10.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 18.66 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 26.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 36.31 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 311.17 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 1901.08 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 10.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 10.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 10.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 10.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 7227.7 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 35.4 | nM | None |
| Homo sapiens | PC-3 | GI50 | 10.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 10.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 10.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 16.63 | nM | None |
| Homo sapiens | SF-295 | GI50 | 31.62 | nM | None |
| Homo sapiens | SF-539 | GI50 | 10.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 52.24 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 31.41 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 13.34 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 10.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 24.89 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 66.68 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 10.0 | nM | None |
| Homo sapiens | SR | GI50 | 10.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 10.0 | nM | None |
| Homo sapiens | T47D | GI50 | 65.31 | nM | None |
| Homo sapiens | TK-10 | GI50 | 10.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 10.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 10.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 25.64 | nM | None |
| Homo sapiens | UO-31 | GI50 | 12.71 | nM | None |