Secocularidine; N-De-Me
AlkaPlorer ID: AK123665
Synonym: Norsecocularidine
IUPAC Name: 2,3-dimethoxy-7-[2-(methylamino)ethyl]benzo[b][1]benzoxepin-10-ol
Structure
SMILES: CNCCC1=CC=C(O)C2=C1C=CC1=CC(OC)=C(OC)C=C1O2
InChI: InChI=1S/C19H21NO4/c1-20-9-8-12-5-7-15(21)19-14(12)6-4-13-10-17(22-2)18(23-3)11-16(13)24-19/h4-7,10-11,20-21H,8-9H2,1-3H3
InChIKey: PBXJZWDYJMXMLQ-UHFFFAOYSA-N
Reference
Alkaloids of Sarcocapnos crassifolia subsp. speciosa
PubChem CID: 13857093
LOTUS: LTS0262590
SuperNatural Ⅲ: SN0281221
COCONUT: CNP0196844
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcocapnos crassifolia | Sarcocapnos | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sarcocapnos enneaphylla | Sarcocapnos | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.38000000000005
TPSA？: 59.95
MolLogP？: 3.447400000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|