1-(2-Aminoethyl)-3,4,5,6-tetrahydroxy-9H-fluoren-9-one; 3,6-Di-Me ether, N,N-di-Me
AlkaPlorer ID: AK257938
Synonym: 1-[2-(Dimethylamino)ethyl]-4,5-dihydroxy-3,6-dimethoxy-9H-fluoren-9-one, Caulophylline B
IUPAC Name: 1-[2-(dimethylamino)ethyl]-4,5-dihydroxy-3,6-dimethoxyfluoren-9-one
Structure
SMILES: COC1=C(O)C2=C(C=C1)C(=O)C1=C2C(O)=C(OC)C=C1CCN(C)C
InChI: InChI=1S/C19H21NO5/c1-20(2)8-7-10-9-13(25-4)19(23)16-14(10)17(21)11-5-6-12(24-3)18(22)15(11)16/h5-6,9,22-23H,7-8H2,1-4H3
InChIKey: NAQHNUUPLJAHRT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caulophyllum robustum | Caulophyllum | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.3790000000001
TPSA？: 79.23
MolLogP？: 2.4305000000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|