Protostemodiol
AlkaPlorer ID: AK026824
Synonym: None
IUPAC Name: (3S,5S)-5-[(3S,8S,9R,9aS)-8-hydroxy-9-[(2S)-1-(5-hydroxy-3-methoxy-4-methylfuran-2-yl)-1-oxopropan-2-yl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepin-3-yl]-3-methyloxolan-2-one
Structure
SMILES: COC1=C(C)C(=O)O/C1=C(\O)[C@@H](C)[C@H]1[C@@H](O)CCCN2[C@H]1CC[C@H]2[C@@H]1C[C@H](C)C(=O)O1
InChI: InChI=1S/C23H33NO7/c1-11-10-17(30-22(11)27)14-7-8-15-18(16(25)6-5-9-24(14)15)12(2)19(26)21-20(29-4)13(3)23(28)31-21/h11-12,14-18,25-26H,5-10H2,1-4H3/b21-19-/t11-,12-,14-,15-,16-,17-,18+/m0/s1
InChIKey: OYRUSEHZRBXHJH-SXKCXTSXSA-N
Reference
Alkaloids from Stems and Leaves of<i>Stemona japonica</i>and Their Insecticidal Activities
LOTUS: LTS0091696
SuperNatural Ⅲ: SN0278684-04
NPASS: NPC11379
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stemona japonica | Stemona | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.5170000000003
TPSA？: 105.53000000000002
MolLogP？: 2.4248000000000003
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Heliothis virescens | Nicotinic acetylcholine receptor alpha1 subunit | IC50 | 10000.0 | nM | 10.1021/np070427k |