Oliveroline
AlkaPlorer ID: AK035788
Synonym: None
IUPAC Name: (12S,13S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
Structure
SMILES: CN1CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2[C@H](O)[C@H]31
InChI: InChI=1S/C18H17NO3/c1-19-7-6-10-8-13-18(22-9-21-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17-/m0/s1
InChIKey: NVMGTUCOAQKLLO-IRXDYDNUSA-N
Source
Properties Information
Molecule Weight: 295.338
TPSA？: 41.93000000000001
MolLogP？: 2.658300000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | Activity | 35.0 | % | 10.1021/np060285e |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np060285e |
| Homo sapiens | MCF7 | IC50 | 20000.0 | nM | 10.1021/np060285e |
| Homo sapiens | MCF7 | IC50 | 45000.0 | nM | 10.1021/np060285e |
| Homo sapiens | Serine/threonine-protein kinase Chk1 | Activity | nan | None | 10.1021/np060285e |