UNPD7162
AlkaPlorer ID: AK041684
Synonym: None
IUPAC Name: (2R,4R,6R,8S)-5-ethylidene-4-methoxy-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.12,6.08,19.013,18]icosa-12(19),13,15,17-tetraene
Structure
SMILES: CC=C1[C@@H]2C[C@H]3C4=C(CCN3C)C3=CC=CC=C3N4[C@@H](C2)O[C@H]1OC
InChI: InChI=1S/C21H26N2O2/c1-4-14-13-11-18-20-16(9-10-22(18)2)15-7-5-6-8-17(15)23(20)19(12-13)25-21(14)24-3/h4-8,13,18-19,21H,9-12H2,1-3H3/t13-,18+,19-,21-/m1/s1
InChIKey: JBSGCOASAIDQQP-BSOUQAEPSA-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: 338.45100000000014
TPSA？: 26.63
MolLogP？: 4.027900000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|