Stemmadenine
AlkaPlorer ID: AK314322
Synonym: Methyl 2,7,19,20-tetrahydro-17-hydroxy-3,7-secocuran-16-carboxylate
IUPAC Name: methyl (16Z)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate
Structure
SMILES: C/C=C1\CN2CCC3=C(NC4=CC=CC=C34)C(CO)(C(=O)OC)C1CC2
InChI: InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3+
InChIKey: MBXJCHZRHROMQA-LZWSPWQCSA-N
Reference
CAS: 10012-73-4
Source
Properties Information
Molecule Weight: 354.45000000000016
TPSA？: 65.56
MolLogP？: 2.3953000000000007
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|