Vinervine
AlkaPlorer ID: AK069635
Synonym: None
IUPAC Name: (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylic acid
Structure
SMILES: C/C=C1/CN2CC[C@]34C(=C(C(=O)O)[C@H]1C[C@H]23)NC1=CC=CC=C14
InChI: InChI=1S/C19H20N2O2/c1-2-11-10-21-8-7-19-13-5-3-4-6-14(13)20-17(19)16(18(22)23)12(11)9-15(19)21/h2-6,12,15,20H,7-10H2,1H3,(H,22,23)/b11-2-/t12-,15-,19+/m0/s1
InChIKey: OABMTVQEVWVWGC-TYJFGCHASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 308.38100000000003
TPSA？: 52.57000000000001
MolLogP？: 2.742700000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Monoamine oxidase A | Activity | nan | None | 10.1021/jm800656v |
| Mus musculus | Monoamine oxidase B | Activity | nan | None | 10.1021/jm800656v |
| None | NON-PROTEIN TARGET | IC50 | 12.11 | ug.mL-1 | 10.1021/np100552b |
| None | NON-PROTEIN TARGET | IC50 | 25.0 | ug.mL-1 | 10.1021/np100552b |