Brachycerine; Deoxy, 1,2-didehydro, 7'S,8'S-epoxide
AlkaPlorer ID: AK290933
Synonym: 18,19-Epoxy-1,2-didehydropsychollatine
IUPAC Name: None
Structure
SMILES: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC1OC12C1=NCCC2=C1NC1=CC=CC=C21
InChI: InChI=1S/C27H30N2O10/c1-35-24(34)14-10-36-25(38-26-22(33)21(32)20(31)16(9-30)37-26)18-13(14)8-17-27(18,39-17)23-19-12(6-7-28-23)11-4-2-3-5-15(11)29-19/h2-5,10,13,16-18,20-22,25-26,29-33H,6-9H2,1H3
InChIKey: WGIWPUKYJFHBQC-UHFFFAOYSA-N
Reference
CAS: 1621388-99-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Psychotria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 542.5410000000003
TPSA？: 175.59
MolLogP？: -0.4834999999999982
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|