3-hydroxy-3-(2-hydroxypropan-2-yl)-4-[(1-{[(2E)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-6-yl)methoxy]-4-oxobutan-2-yl (2E)-2-methylbut-2-enoate
AlkaPlorer ID: AK012363
Synonym: None
IUPAC Name: [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methyl (2R)-2,3-dihydroxy-3-methyl-2-[(1S)-1-[(Z)-2-methylbut-2-enoyl]oxyethyl]butanoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=C[C@@H]2[C@H](OC(=O)/C(C)=C\C)CCN2C1)C(C)(C)O
InChI: InChI=1S/C25H37NO8/c1-8-15(3)21(27)33-17(5)25(31,24(6,7)30)23(29)32-14-18-12-19-20(10-11-26(19)13-18)34-22(28)16(4)9-2/h8-9,12,17,19-20,30-31H,10-11,13-14H2,1-7H3/b15-8-,16-9-/t17-,19+,20+,25-/m0/s1
InChIKey: JZEITCZHHKPGHS-LTCADICWSA-N
Reference
Pyrrolizidine and tetrahydroisoquinoline alkaloids from Echium humile
PubChem CID: 122214229
LOTUS: LTS0235942
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium vulgare | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 479.57000000000033
TPSA？: 122.6
MolLogP？: 1.8217999999999992
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|