2,6,8,10-Dodecatetraenoic acid; (2E,6Z,8E,10Z)-form, 2-Hydroxy-2-methylpropylamide
AlkaPlorer ID: AK296990
Synonym: Hydroxy-ε-sanshool
IUPAC Name: (2E,6E,8E,10E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Structure
SMILES: C/C=C/C=C/C=C/CC/C=C/C(O)=NCC(C)(C)O
InChI: InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8+,13-12+
InChIKey: LHFKHAVGGJJQFF-UMYNZBAMSA-N
Reference
PubChem CID: 10220912
CAS: 252193-26-3
LOTUS: LTS0079442
SuperNatural Ⅲ: SN0205404-05
NPASS: NPC132669
Source
Properties Information
Molecule Weight: 263.381
TPSA？: 52.82000000000001
MolLogP？: 3.738700000000002
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cannabinoid CB1 receptor | IC50 | 9.0 | nM | 10.1021/np400478c |
| Homo sapiens | Cannabinoid CB1 receptor | Inhibition | 40.0 | % | 10.1021/np400478c |
| Homo sapiens | Cannabinoid CB2 receptor | IC50 | 131.0 | nM | 10.1021/np400478c |
| Homo sapiens | Cannabinoid CB2 receptor | Inhibition | 43.0 | % | 10.1021/np400478c |
| None | ADMET | Activity | 56.0 | % | 10.1021/np300696g |
| None | NON-PROTEIN TARGET | GI | 65.0 | % | 10.1021/np300696g |
| None | Unchecked | Ratio IC50 | 0.07 | None | 10.1021/np400478c |