None
AlkaPlorer ID: AK565088
Synonym: None
IUPAC Name: methyl (1S,2S,16Z)-16-ethylidene-2-(hydroxymethyl)-14-oxido-4-aza-14-azoniatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
Structure
SMILES: C/C=C1\C[N+]2([O-])CCC3=C(NC4=CC=CC=C34)[C@@](CO)(C(=O)OC)[C@H]1CC2
InChI: InChI=1S/C21H26N2O4/c1-3-14-12-23(26)10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)27-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3+/t17-,21-,23?/m0/s1
InChIKey: WXWXJDLCIXJYLO-ACKBIAIPSA-N
Reference
Alkaloids and other compounds from seeds of Tabernaemontana cymosa
PubChem CID: 101702518
LOTUS: LTS0208807
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 370.4490000000002
TPSA？: 85.38000000000001
MolLogP？: 2.4079000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|