(1R,3R,5S,6S,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl (2E)-2-methylbut-2-enoate
AlkaPlorer ID: AK144452
Synonym: None
IUPAC Name: [(1R,3R,5S,6S,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(\C)C(=O)O[C@@H]1[C@H](O)[C@H]2C[C@@H](O)C[C@@H]1N2C
InChI: InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-12-10-6-8(15)5-9(11(12)16)14(10)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9-,10+,11-,12+/m1/s1
InChIKey: QYQKPLMVSBIKQI-BFWODJAFSA-N
Reference
Alkaloids of Datura suaveolens
PubChem CID: 21770005
LOTUS: LTS0134513
SuperNatural Ⅲ: SN0318707-01
NPASS: NPC109862
Source
Properties Information
Molecule Weight: 255.314
TPSA?: 70.0
MolLogP?: 0.0625999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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