Ocoteine; (±)-form
AlkaPlorer ID: AK308384
Synonym: None
IUPAC Name: 7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C3OCOC3=C(OC)C3=C1C(C2)N(C)CC3
InChI: InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20-21(19(12)25-4)27-10-26-20/h8-9,14H,5-7,10H2,1-4H3
InChIKey: XEZKWYLHAOYOCL-UHFFFAOYSA-N
Reference
Alkaloids of Jordanian Thalictrum isopyroides
PubChem CID: 3083793
CAS: 3246-21-7
LOTUS: LTS0034425
COCONUT: CNP0242004.3
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum minus | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ocotea puberula | Ocotea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.41700000000014
TPSA？: 49.39000000000001
MolLogP？: 3.193200000000002
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|