3'-Acetylindicine
AlkaPlorer ID: AK012296
Synonym: ''
IUPAC Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1R)-1-acetyloxyethyl]-2-hydroxy-3-methylbutanoate
Structure
SMILES: CC(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C
InChI: InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14-,15-,17+/m1/s1
InChIKey: YFQPDKABPCMKCA-CYHLAULCSA-N
Reference
Pyrrolizidine alkaloids from Cryptantha species
PubChem CID: 162973292
LOTUS: LTS0077393
SuperNatural Ⅲ: SN0449100-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptantha leiocarpa | Cryptantha | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.404
TPSA？: 96.3
MolLogP？: 0.2435000000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|