Stemocurtisinol
AlkaPlorer ID: AK053446
Synonym: None
IUPAC Name: (5Z)-5-[(1R,6S,9S,10R,11R,12S)-6-[(1S)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
Structure
SMILES: CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4
InChI: InChI=1S/C22H31NO6/c1-5-14(24)13-7-8-15-17-16-11(2)19(20-18(26-4)12(3)21(25)27-20)29-22(16,28-15)9-6-10-23(13)17/h11,13-17,24H,5-10H2,1-4H3/b20-19-/t11-,13-,14-,15-,16+,17-,22+/m0/s1
InChIKey: WAULTDWQPCNZBI-YJXDLYNPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona curtisii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4910000000002
TPSA？: 77.46000000000001
MolLogP？: 2.450500000000001
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Anopheles minimus | Anopheles minimus | LC50 | 39.0 | ppm | 10.1021/np034066u |
| Homo sapiens | Acetylcholinesterase | MIC | 2.47 | nM | 10.1021/np100474y |
| Homo sapiens | Acetylcholinesterase | MIC | 1000.0 | ng | 10.1021/np100474y |