(1S,2R,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
AlkaPlorer ID: AK042331
Synonym: None
IUPAC Name: (1S,2S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,14-diol
Structure
SMILES: COC1=CC=C2CN(C)C[C@@H](O)[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
InChI: InChI=1S/C17H21NO4/c1-18-8-10-3-4-12(21-2)16-15(10)17(13(20)9-18)6-5-11(19)7-14(17)22-16/h3-6,11,13-14,19-20H,7-9H2,1-2H3/t11-,13+,14-,17-/m0/s1
InChIKey: YLFKDWVECRVHGB-SYEQVDHESA-N
Reference
Alkaloids from Hippeastrum papilio
PubChem CID: 10402718
LOTUS: LTS0211867
NPASS: NPC91341
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zephyranthes carinata | Zephyranthes | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 303.35800000000006
TPSA？: 62.16000000000001
MolLogP？: 0.8210999999999997
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 | 1610.0 | nM | 10.1021/np0702077 |
| Homo sapiens | Acetylcholinesterase | IC50 | 200000.0 | nM | 10.1021/acs.jnatprod.7b00301 |