Acrophylline
AlkaPlorer ID: AK024158
Synonym: None
IUPAC Name: 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one
Structure
SMILES: COC1=CC=C2C(=O)C3=C(OC=C3)N(CC=C(C)C)C2=C1
InChI: InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3
InChIKey: GARIOWCJZYSSOE-UHFFFAOYSA-N
Reference
The alkaloids of Acronychia haplophylla
PubChem CID: 87840
CAS: 18904-40-0
LOTUS: LTS0172164
SuperNatural Ⅲ: SN0100616
COCONUT: CNP0202497
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcomelicope simplicifolia | Sarcomelicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 283.327
TPSA？: 44.37
MolLogP？: 3.722500000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 91622.05 | nM | None |
| Homo sapiens | A498 | GI50 | 63241.19 | nM | None |
| Homo sapiens | A549 | GI50 | 7144.96 | nM | None |
| Homo sapiens | ACHN | GI50 | 8491.8 | nM | None |
| Homo sapiens | BT-549 | GI50 | 35399.73 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 2992.26 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 39355.01 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 85310.01 | nM | None |
| Homo sapiens | DU-145 | GI50 | 34040.82 | nM | None |
| Homo sapiens | EKVX | GI50 | 43853.07 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 91411.32 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 52722.99 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 35563.13 | nM | None |
| Homo sapiens | HL-60 | GI50 | 23604.78 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 79067.86 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 26242.19 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 31332.86 | nM | None |
| Homo sapiens | HT-29 | GI50 | 47206.3 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 74473.2 | nM | None |
| Homo sapiens | K562 | GI50 | 48865.24 | nM | None |
| Homo sapiens | KM12 | GI50 | 45919.8 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 42266.86 | nM | None |
| Homo sapiens | M14 | GI50 | 64416.93 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 3837.07 | nM | None |
| Homo sapiens | MCF7 | GI50 | 33651.16 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 72945.75 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 75857.76 | nM | None |
| Homo sapiens | MDA-N | GI50 | 73790.42 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 25176.77 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 18793.17 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 87902.25 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 46131.76 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 74301.91 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 50234.26 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 2648.5 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 85703.78 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 44668.36 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 39536.66 | nM | None |
| Homo sapiens | PC-3 | GI50 | 36391.5 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 22387.21 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 28510.18 | nM | None |
| Homo sapiens | SF-268 | GI50 | 78162.78 | nM | None |
| Homo sapiens | SF-295 | GI50 | 57942.87 | nM | None |
| Homo sapiens | SF-539 | GI50 | 97051.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 81658.24 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 60534.09 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 31988.95 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 44668.36 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 76559.66 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 26363.31 | nM | None |
| Homo sapiens | SR | GI50 | 31045.6 | nM | None |
| Homo sapiens | SW-620 | GI50 | 97274.72 | nM | None |
| Homo sapiens | T47D | GI50 | 36057.86 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 75162.29 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 48417.24 | nM | None |
| Homo sapiens | UO-31 | GI50 | 18197.01 | nM | None |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/np50115a016 |
| None | Mast cell | Activity | nan | None | 10.1021/np50115a016 |