None
AlkaPlorer ID: AK324657
Synonym: None
IUPAC Name: 2-[(2R,3R,3aR,5aR,6E,9aS,9bS)-3-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(cyanomethylidene)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-1,2,3,4,9,9a-hexahydrocyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
Structure
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C(C(C)(C)C(=O)O)/C(=C\C#N)[C@]3(C)C(=O)C[C@]12C
InChI: InChI=1S/C32H43NO8/c1-18(34)41-27(2,3)14-12-23(36)32(9,40)25-21(35)16-29(6)22-11-10-19(28(4,5)26(38)39)20(13-15-33)31(22,8)24(37)17-30(25,29)7/h10,12-14,21-22,25,35,40H,11,16-17H2,1-9H3,(H,38,39)/b14-12+,20-13+/t21-,22+,25+,29+,30-,31+,32+/m1/s1
InChIKey: SIPXESDARIVPRZ-XYEPERKCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrullus colocynthis | Citrullus | Cucurbitaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 569.6950000000003
TPSA？: 161.99
MolLogP？: 4.083980000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | Inhibition | None | % | 10.1021/acs.jnatprod.8b00461 |