None
AlkaPlorer ID: AK323527
Synonym: None
IUPAC Name: (1R,4S,12R,13S,16R,18S)-18-hydroxy-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-trien-17-one
Structure
SMILES: O=C1[C@H]2CN3CCC[C@]45CC[C@@]6(NC7=C(C=CC=C7)[C@@]26[C@@H]34)[C@@]1(O)C5
InChI: InChI=1S/C20H22N2O2/c23-15-13-10-22-9-3-6-17-7-8-19(18(15,24)11-17)20(13,16(17)22)12-4-1-2-5-14(12)21-19/h1-2,4-5,13,16,21,24H,3,6-11H2/t13-,16+,17-,18-,19-,20+/m1/s1
InChIKey: WKCGXEOAQYFOKQ-AJTFGXLRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia officinalis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.4080000000001
TPSA？: 52.57000000000001
MolLogP？: 1.6806000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | T-cell line | IC50 | 25400.0 | nM | 10.1021/acs.jnatprod.6b00697 |