2,3,10,11-Berbinetetrol; (S)-form, 3-Me ether
AlkaPlorer ID: AK290522
Synonym: Pessoine
IUPAC Name: 3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
Structure
SMILES: COC1=CC2=C(C=C1O)C1CC3=CC(O)=C(O)C=C3CN1CC2
InChI: InChI=1S/C18H19NO4/c1-23-18-7-10-2-3-19-9-12-6-16(21)15(20)5-11(12)4-14(19)13(10)8-17(18)22/h5-8,14,20-22H,2-4,9H2,1H3
InChIKey: NZFYGBOUVBINBH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona spinescens | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.3530000000001
TPSA？: 73.16
MolLogP？: 2.4675
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|