methyl 2-[(3Z)-3-ethylidene-8-methoxy-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
AlkaPlorer ID: AK319621
Synonym: None
IUPAC Name: methyl (2S)-2-[(2R,3E,12bS)-3-ethylidene-8-methoxy-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
Structure
SMILES: C/C=C1/CN2CCC3=C(NC4=CC=CC(OC)=C34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC
InChI: InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)27-2)23-21(14)18(24)10-15(13)16(12-25)22(26)28-3/h4-7,15-16,18,23,25H,8-12H2,1-3H3/b13-4-/t15-,16+,18-/m0/s1
InChIKey: WYNQUOUUSJZYJJ-SOZVSBGWSA-N
Reference
Alkaloids of Strychnos rubiginosa
PubChem CID: 163193534
LOTUS: LTS0141345
NPASS: NPC279050
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Megoura crassicauda | Megoura | Aphididae | Hemiptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 384.47600000000017
TPSA？: 74.79
MolLogP？: 2.823400000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|