Isoimerubrine
AlkaPlorer ID: AK036693
Synonym: ''
IUPAC Name: 6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one
Structure
SMILES: COC1=C(OC)C2=C3C(=NC=C2)C2=C(C=CC(=O)C(OC)=C2)C3=C1OC
InChI: InChI=1S/C20H17NO5/c1-23-14-9-12-10(5-6-13(14)22)16-15-11(7-8-21-17(12)15)18(24-2)20(26-4)19(16)25-3/h5-9H,1-4H3
InChIKey: LSZCTBVMSGTFLL-UHFFFAOYSA-N
Reference
PubChem CID: 9884814
CAS: 74684-11-0
LOTUS: LTS0035282
SuperNatural Ⅲ: SN0214600
COCONUT: CNP0310826
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Abuta grandifolia | Abuta | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.3580000000001
TPSA？: 66.88000000000001
MolLogP？: 3.276800000000001
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|