3,4-Seco-3,14-dehydrocabucraline
AlkaPlorer ID: AK313198
Synonym: None
IUPAC Name: methyl 13-ethylidene-5-methoxy-8-methyl-8,15-diazatetracyclo[10.5.1.01,9.02,7]octadeca-2(7),3,5,10-tetraene-18-carboxylate
Structure
SMILES: CC=C1CNCCC23C4=CC=C(OC)C=C4N(C)C2C=CC1C3C(=O)OC
InChI: InChI=1S/C22H28N2O3/c1-5-14-13-23-11-10-22-17-8-6-15(26-3)12-18(17)24(2)19(22)9-7-16(14)20(22)21(25)27-4/h5-9,12,16,19-20,23H,10-11,13H2,1-4H3
InChIKey: IWHCGBPCBYWRBB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia plumosa | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4770000000001
TPSA？: 50.8
MolLogP？: 2.666200000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|