(1R,7aR)-7-({[(2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-4-hydroxy-3-methylbut-2-enoate
AlkaPlorer ID: AK023501
Synonym: None
IUPAC Name: [(7R,8R)-7-[(E)-4-hydroxy-3-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: C/C(=C\C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12)CO
InChI: InChI=1S/C20H31NO7/c1-12(2)20(26,14(4)23)19(25)27-11-15-5-7-21-8-6-16(18(15)21)28-17(24)9-13(3)10-22/h5,9,12,14,16,18,22-23,26H,6-8,10-11H2,1-4H3/b13-9+/t14-,16-,18-,20+/m1/s1
InChIKey: UKPSUWZPUAENNH-PPJCERQOSA-N
Reference
Pyrrolizidine and tetrahydroisoquinoline alkaloids from Echium humile
PubChem CID: 162975382
LOTUS: LTS0122520
SuperNatural Ⅲ: SN0372953-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium humile | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4680000000001
TPSA？: 116.53
MolLogP？: 0.1622000000000006
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|