Crebanine; 6a,7-Didehydro, O8-de-Me
AlkaPlorer ID: AK293180
Synonym: 8-O-Demethyldehydrocrebanine
IUPAC Name: 16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaen-15-ol
Structure
SMILES: COC1=CC=C2C(=C1O)C=C1C3=C(C=C4OCOC4=C32)CCN1C
InChI: InChI=1S/C19H17NO4/c1-20-6-5-10-7-15-19(24-9-23-15)17-11-3-4-14(22-2)18(21)12(11)8-13(20)16(10)17/h3-4,7-8,21H,5-6,9H2,1-2H3
InChIKey: LSZJKQJKQSWSEZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycoris aurea | Lycoris | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 323.34800000000007
TPSA？: 51.16
MolLogP？: 3.428200000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CAL-27 | IC50 | 28900.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 95.3 | % | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Detroit 562 | IC50 | 28900.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | HEp-2 | IC50 | 28900.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | SCL-1 | IC50 | 28900.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | UMSCC1 | IC50 | 28900.0 | nM | 10.1016/j.ejmech.2021.113165 |
| None | Unchecked | IC50 | 28900.0 | nM | 10.1016/j.ejmech.2021.113165 |