5-[(1S,4S,5R,6S,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
AlkaPlorer ID: AK318377
Synonym: None
IUPAC Name: (5Z)-5-[(1S,4S,5R,6S,8S,9S,13S)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
Structure
SMILES: CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42
InChI: InChI=1S/C22H29NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,24H,5-9H2,1-4H3/b19-18-/t10-,12-,13-,14-,15-,16+,21-,22+/m0/s1
InChIKey: WXCVDEUJZBRYIT-DOKLQMRDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona cochinchinensis | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stemona curtisii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stemona burkillii | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 403.47500000000025
TPSA？: 77.46000000000001
MolLogP？: 2.0604
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | LC50 | 33.0 | ppm | 10.1021/np049791z |
| Cladosporium cladosporioides | Cladosporium cladosporioides | EC50 | 219.0 | ppm | 10.1021/np049791z |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 30.33 | ppm | 10.1021/jf0205615 |
| Spodoptera littoralis | Spodoptera littoralis | LC50 | 38.47 | ppm | 10.1021/jf0205615 |