Chrestfoline C
AlkaPlorer ID: AK322404
Synonym: None
IUPAC Name: 11-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
Structure
SMILES: COC1=CC(CN2C3=CC=CC=C3C3=CC(C)=C4OC(C)(CCC=C(C)C)C=CC4=C32)=CC2=C1NC1=CC=CC=C12
InChI: InChI=1S/C37H36N2O2/c1-23(2)11-10-17-37(4)18-16-28-35-30(19-24(3)36(28)41-37)27-13-7-9-15-32(27)39(35)22-25-20-29-26-12-6-8-14-31(26)38-34(29)33(21-25)40-5/h6-9,11-16,18-21,38H,10,17,22H2,1-5H3
InChIKey: WZDZCOAWFXDCTD-UHFFFAOYSA-N
Reference
PubChem CID: 375157
CAS: 129748-52-3
LOTUS: LTS0025773
NPASS: NPC475253
COCONUT: CNP0295829.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Murraya euchrestifolia | Murraya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 540.7070000000003
TPSA？: 39.18
MolLogP？: 9.705019999999996
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | 786-0 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A498 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | BT-549 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | CAKI-1 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DLD-1 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | DLD-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DMS-273 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | DMS-273 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DU-145 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | EKVX | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCC 2998 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HCT-116 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-15 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-18 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HOP-18 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-62 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Hs-578T | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HT-29 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | K562 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | K562 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM12 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | KM12 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM-20L2 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | KM-20L2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | LOX IMVI | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | LOX IMVI | GI50 | 100000.0 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 88511.56 | nM | None |
| Homo sapiens | M14 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | M14 | GI50 | 100000.0 | nM | None |
| Homo sapiens | M19-MEL | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | M19-MEL | GI50 | 100000.0 | nM | None |
| Homo sapiens | Malme-3M | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | Malme-3M | GI50 | 100000.0 | nM | None |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | MDA-MB-231 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | MDA-MB-435 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | MDA-N | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | MOLT-4 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | MOLT-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | NCI-H23 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | NCI-H460 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H522 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | NCI-H522 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PC-3 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RXF 393 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | RXF 393 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SF-295 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-539 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SF-539 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SK-MEL-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-OV-3 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SNB-75 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SR | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SR | GI50 | 100000.0 | nM | None |
| Homo sapiens | SW-620 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | T47D | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | TK-10 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-62 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | Activity | nan | None | 10.1021/np000020e |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |
| Homo sapiens | XF498 | Activity | nan | None | 10.1021/np000020e |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np000020e |