Capitavine; N-De-Me
AlkaPlorer ID: AK291577
Synonym: N-Demethylcapitavine
IUPAC Name: 5,7-dihydroxy-2-phenyl-6-piperidin-2-ylchromen-4-one
Structure
SMILES: O=C1C=C(C2=CC=CC=C2)OC2=C1C(O)=C(C1CCCCN1)C(O)=C2
InChI: InChI=1S/C20H19NO4/c22-14-11-17-19(20(24)18(14)13-8-4-5-9-21-13)15(23)10-16(25-17)12-6-2-1-3-7-12/h1-3,6-7,10-11,13,21-22,24H,4-5,8-9H2
InChIKey: QNAISVUYZYHGLP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Buchenavia | Combretaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.37500000000006
TPSA？: 82.7
MolLogP？: 3.685800000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 500000.0 | nM | 10.1016/j.bmc.2017.07.055 |