Ocoteine; (S)-form, 4,5,6a,7-Tetradehydro
AlkaPlorer ID: AK090081
Synonym: 4,10,11-Trimethoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, Didehydroocoteine, Tetradehydroocoteine
IUPAC Name: 7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,9,12(20),13,15,17-octaene
Structure
SMILES: COC1=CC2=CC3=C4C(=C(OC)C5=C(OCO5)C4=C2C=C1OC)C=CN3C
InChI: InChI=1S/C21H19NO5/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/h5-9H,10H2,1-4H3
InChIKey: RBSCDSZMFOSRPC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ocotea puberula | Ocotea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.3850000000001
TPSA？: 49.39000000000001
MolLogP？: 4.168000000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|