None
AlkaPlorer ID: AK324140
Synonym: None
IUPAC Name: methyl (E)-2-[(2S,3R,7aR,12bR)-3-ethenyl-7a-hydroxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Structure
SMILES: C=C[C@H]1CN2CC[C@]3(O)C(=NC4=CC=CC=C43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChI: InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(26)17-7-5-6-8-18(17)23-20(22)19(24)11-15(14)16(13-27-2)21(25)28-3/h4-8,13-15,19,26H,1,9-12H2,2-3H3/b16-13+/t14-,15-,19+,22+/m0/s1
InChIKey: AWIMFNRKWCFEBE-BRSGZFOASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Uncaria rhynchophylla | Uncaria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 382.46000000000015
TPSA？: 71.36
MolLogP？: 2.5600000000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | EC50 | 100000.0 | nM | 10.1021/acs.jnatprod.9b00532 |