Piperolein A; (E)-form
AlkaPlorer ID: AK310582
Synonym: None
IUPAC Name: (E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhept-6-en-1-one
Structure
SMILES: O=C(CCCC/C=C/C1=CC=C2OCOC2=C1)N1CCCCC1
InChI: InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+
InChIKey: MIWPBXQTBYPJEF-XBXARRHUSA-N
Reference
PubChem CID: 11141599
CAS: 30505-92-1
LOTUS: LTS0183242
SuperNatural Ⅲ: SN0226910-01
NPASS: NPC180647
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 315.4130000000002
TPSA？: 38.77
MolLogP？: 4.001400000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Blumeria graminis | Blumeria graminis | Activity | 40.0 | % | 10.1016/S0261-2194(00)00172-1 |
| Blumeria graminis | Blumeria graminis | Activity | 60.0 | % | 10.1016/S0261-2194(00)00172-1 |
| Botrytis cinerea | Botrytis cinerea | Activity | 0.0 | % | 10.1016/S0261-2194(00)00172-1 |
| Phytophthora infestans | Phytophthora infestans | Activity | 0.0 | % | 10.1016/S0261-2194(00)00172-1 |
| Puccinia recondita | Puccinia recondita | Activity | 0.0 | % | 10.1016/S0261-2194(00)00172-1 |
| Pyricularia grisea | Pyricularia grisea | Activity | 0.0 | % | 10.1016/S0261-2194(00)00172-1 |
| Rhizoctonia solani | Rhizoctonia solani | Activity | 0.0 | % | 10.1016/S0261-2194(00)00172-1 |
| None | Unchecked | Activity | 32.0 | % | 10.1021/np900656g |
| None | Unchecked | Activity | nan | None | 10.1021/np900656g |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.1c01154 |