Villocarine A
AlkaPlorer ID: AK000669
Synonym: None
IUPAC Name: methyl (E)-2-[(2S,3E,12bR)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Structure
SMILES: C/C=C\1/CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=CC=CC=C34
InChI: InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13,17,20,23H,9-12H2,1-3H3/b14-4-,18-13+/t17-,20+/m0/s1
InChIKey: VAMJZLUOKJRHOW-YNIQLQCKSA-N
Reference
New vasorelaxant indole alkaloids, villocarines A–D from Uncaria villosa
PubChem CID: 53357473
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria rhynchophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.46100000000007
TPSA？: 54.559999999999995
MolLogP？: 3.736600000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aorta | Activity | None | None | 10.1016/j.bmc.2011.05.014 |