Aspidospermatidine; 12-Methoxy, N-Ac
AlkaPlorer ID: AK289549
Synonym: Aspidospermatine
IUPAC Name: 1-[(18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: C/C=C1\C2CCN3CCC4(C5=CC=CC(OC)=C5N(C(C)=O)C4C2)C13
InChI: InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+
InChIKey: CCNTUVFHVFQEJI-SYZQJQIISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma quebracho-blanco | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.45100000000014
TPSA？: 32.78
MolLogP？: 3.112300000000002
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|