UNPD155752
AlkaPlorer ID: AK454964
Synonym: None
IUPAC Name: methyl (1S,15E)-15-ethylidene-10,17-dimethyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: C/C=C1/CN(C)[C@H]2CC3=C(C(=O)CC1C2C(=O)OC)N(C)C1=CC=CC=C31
InChI: InChI=1S/C22H26N2O3/c1-5-13-12-23(2)18-10-16-14-8-6-7-9-17(14)24(3)21(16)19(25)11-15(13)20(18)22(26)27-4/h5-9,15,18,20H,10-12H2,1-4H3/b13-5-/t15?,18-,20?/m0/s1
InChIKey: MGXLBYVOYDYHHV-VUQLXGDCSA-N
Reference
Alkaloids from stem bark and leaves of Peschiera buchtieni
PubChem CID: 134716677
LOTUS: LTS0271062
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.46100000000007
TPSA？: 51.54
MolLogP？: 2.972900000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|