Lithosenine; O3''-Ac
AlkaPlorer ID: AK304537
Synonym: Acetyllithosenine
IUPAC Name: [7-(3-hydroxy-3-methylbutanoyl)oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate
Structure
SMILES: CC(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(OC(=O)CC(C)(C)O)C12)C(C)(C)O
InChI: InChI=1S/C22H35NO9/c1-13(31-14(2)24)22(29,21(5,6)28)19(26)30-12-15-7-9-23-10-8-16(18(15)23)32-17(25)11-20(3,4)27/h7,13,16,18,27-29H,8-12H2,1-6H3
InChIKey: RWSVCNGLTCIUJD-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Lithospermum officinale
PubChem CID: 162948400
LOTUS: LTS0109277
COCONUT: CNP0219004.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lithospermum officinale | Lithospermum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 457.5200000000002
TPSA？: 142.83
MolLogP？: 0.0703000000000018
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|