(2Z)-2-[(5S,7R,9S)-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.0⁵,¹⁷.0¹¹,¹⁶]heptadeca-1(17),11,13,15-tetraen-7-yl]but-2-enal
AlkaPlorer ID: AK033733
Synonym: None
IUPAC Name: 2-[(5S,7R,9S)-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]but-2-enal
Structure
SMILES: CC=C(C=O)[C@H]1C[C@H](OC)N2C3=C(CCN(C)[C@H]3C1)C1=CC=CC=C12
InChI: InChI=1S/C21H26N2O2/c1-4-14(13-24)15-11-19-21-17(9-10-22(19)2)16-7-5-6-8-18(16)23(21)20(12-15)25-3/h4-8,13,15,19-20H,9-12H2,1-3H3/t15-,19+,20+/m1/s1
InChIKey: SILDJCOKNNOTCC-XPGWFJOJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypericum choisyanum | Hypericum | Hypericaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Strychnos dale | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4510000000001
TPSA？: 34.47
MolLogP？: 3.8705000000000034
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|