Carinatine
AlkaPlorer ID: AK014435
Synonym: ''
IUPAC Name: (1S,14S,15S,16S)-5,14-dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-4,15-diol
Structure
SMILES: COC1=C(O)C=C2C(=C1)CN1CCC3=C[C@H](OC)[C@@H](O)[C@@H]2[C@@H]31
InChI: InChI=1S/C17H21NO4/c1-21-13-6-10-8-18-4-3-9-5-14(22-2)17(20)15(16(9)18)11(10)7-12(13)19/h5-7,14-17,19-20H,3-4,8H2,1-2H3/t14-,15-,16+,17+/m0/s1
InChIKey: KJPYARWZKKTTBA-MWDXBVQZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amaryllis minuta | Amaryllis | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hymenocallis arenicola | Hymenocallis | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Zephyranthes carinata | Zephyranthes | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.35799999999995
TPSA？: 62.16000000000001
MolLogP？: 1.3882
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.7b00301 |