Serotobenine; 8-Oxo, 7',8'-didehydro
AlkaPlorer ID: AK259027
Synonym: Calanthumindole
IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),3,9,12(16),13-pentaene-5,8-dione
Structure
SMILES: COC1=CC(C2=C3C(=O)NCC(=O)C4=CNC5=CC=C(O2)C3=C45)=CC=C1O
InChI: InChI=1S/C20H14N2O5/c1-26-15-6-9(2-4-12(15)23)19-18-17-14(27-19)5-3-11-16(17)10(7-21-11)13(24)8-22-20(18)25/h2-7,21,23H,8H2,1H3,(H,22,25)
InChIKey: ORXXENZSODPNSX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Campylospermum calanthum | Campylospermum | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 362.3410000000001
TPSA？: 104.56
MolLogP？: 3.2214000000000014
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|