5-Carboxycorynanthine; 5β-form
AlkaPlorer ID: AK259781
Synonym: None
IUPAC Name: 18-hydroxy-19-methoxycarbonyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-12-carboxylic acid
Structure
SMILES: COC(=O)C1C(O)CCC2CN3C(C(=O)O)CC4=C(NC5=CC=CC=C45)C3CC21
InChI: InChI=1S/C22H26N2O5/c1-29-22(28)19-13-8-16-20-14(12-4-2-3-5-15(12)23-20)9-17(21(26)27)24(16)10-11(13)6-7-18(19)25/h2-5,11,13,16-19,23,25H,6-10H2,1H3,(H,26,27)
InChIKey: FKDCWOOHMIPXRV-UHFFFAOYSA-N
Reference
Adina alkaloids: 5α-carboxycorynanthine.
PubChem CID: 162889647
LOTUS: LTS0167336
COCONUT: CNP0156451
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Adina | Hesperiidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 398.45900000000006
TPSA？: 102.86
MolLogP？: 2.1003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|