Supinine
AlkaPlorer ID: AK011952
Synonym: '', 'Amabiline', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-', 'Supinine', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester', 'amabiline'
IUPAC Name: None
Structure
SMILES: CC(C)[C@](O)(C(=O)OCC1=CC[NH+]2CCC[C@@H]12)[C@@H](C)O
InChI: InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/p+1/t11-,13+,15-/m1/s1
InChIKey: DRVWTOSBCBKXOR-OSAQELSMSA-O
Reference
Minor alkaloids of Heliotropium curassavicum
LOTUS: LTS0249941
SuperNatural Ⅲ: SN0073773-06
NPASS: NPC77211
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium curassavicum | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Simarouba amara | Simarouba | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Indigofera aspalathoides | Indigofera | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 284.376
TPSA？: 71.2
MolLogP？: -0.7151999999999978
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|