Ocoteine
AlkaPlorer ID: AK048393
Synonym: 'Thalicmine', 'Thalicmin', 'Ocotein'
IUPAC Name: (12R)-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=C1[C@@H](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/t14-/m1/s1
InChIKey: XEZKWYLHAOYOCL-CQSZACIVSA-N
Reference
Isoquinoline alkaloid N-oxides from Thalictrum simplex
PubChem CID: 1600002
LOTUS: LTS0211740
SuperNatural Ⅲ: SN0428362-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum fendleri | Thalictrum | Ranunculaceae | Ranunculales | 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 |
|---|