pinnamine
AlkaPlorer ID: AK036135
Synonym: None
IUPAC Name: (1R,2R,7R,10S)-4-ethyl-6-oxa-13-azatricyclo[8.2.1.02,7]tridec-4-en-3-one
Structure
SMILES: CCC1=CO[C@@H]2CC[C@@H]3CC[C@@H](N3)[C@H]2C1=O
InChI: InChI=1S/C13H19NO2/c1-2-8-7-16-11-6-4-9-3-5-10(14-9)12(11)13(8)15/h7,9-12,14H,2-6H2,1H3/t9-,10+,11+,12+/m0/s1
InChIKey: UPJMEZGEIAXDEQ-IRCOFANPSA-N
Reference
Pinnamine, an alkaloidal marine toxin, isolated from Pinna muricata
PubChem CID: 11298996
LOTUS: LTS0144358
SuperNatural Ⅲ: SN0376570-03
Source
Properties Information
Molecule Weight: 221.3
TPSA？: 38.33
MolLogP？: 1.7788
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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