3,11-dimethoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
AlkaPlorer ID: AK091559
Synonym: None
IUPAC Name: 3,11-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Structure
SMILES: COC1=CC2=NC=CC3=C2N(C1=O)C1=CC=CC(OC)=C31
InChI: InChI=1S/C16H12N2O3/c1-20-12-5-3-4-11-14(12)9-6-7-17-10-8-13(21-2)16(19)18(11)15(9)10/h3-8H,1-2H3
InChIKey: TUAGKYNOMTVKAV-UHFFFAOYSA-N
Reference
A Novel Canthin‐6‐One Alkaloid Isolated from Cell Suspension Cultures of Brucea Javanica (L.) Merr
PubChem CID: 86173758
LOTUS: LTS0030427
SuperNatural Ⅲ: SN0360019
COCONUT: CNP0390833
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brucea javanica | Brucea | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 280.283
TPSA？: 52.83
MolLogP？: 2.4559000000000006
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|